All Chemical Compounds

Sunday, July 31, 2011

All Chemical Compounds Information

Product OPENEYE NAME: trichloro(propyl)silane
CAS Name: trichloro(propyl)silane
IUPAC NAME: trichloro(propyl)silane
SYSTEMATIC NAME: tris(chloranyl)-propyl-silane
MOLECULAR FORMULA: C3H7Cl3Si
MOLECULAR WEIGHT: 177.53218
SMILES: CCC[Si](Cl)(Cl)Cl
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Product OPENEYE NAME: 2,4,4-trimethylpentane-2-thiol
CAS Name: 2,4,4-trimethyl-2-pentanethiol
IUPAC NAME: 2,4,4-trimethylpentane-2-thiol
SYSTEMATIC NAME: 2,4,4-trimethylpentane-2-thiol
MOLECULAR FORMULA: C8H18S
MOLECULAR WEIGHT: 146.29352
SMILES: CC(C)(C)CC(C)(C)S
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Product OPENEYE NAME: [dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-trimethylsilyloxy-silane
CAS Name: [dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-trimethylsilyloxysilane
IUPAC NAME: [dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-trimethylsilyloxysilane
SYSTEMATIC NAME: [dimethyl(trimethylsilyloxy)silyl]oxy-dimethyl-trimethylsilyloxy-silane
MOLECULAR FORMULA: C10H30O3Si4
MOLECULAR WEIGHT: 310.6854
SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
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Product OPENEYE NAME: bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethyl-silane
CAS Name: bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane
IUPAC NAME: bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane
SYSTEMATIC NAME: bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethyl-silane
MOLECULAR FORMULA: C12H36O4Si5
MOLECULAR WEIGHT: 384.83934
SMILES: C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
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Product OPENEYE NAME: [3-(dimethylamino)-1-methyl-3-oxo-prop-1-enyl] dimethyl phosphate
CAS Name: phosphoric acid [4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl ester
IUPAC NAME: [4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
SYSTEMATIC NAME: [4-(dimethylamino)-4-oxidanylidene-but-2-en-2-yl] dimethyl phosphate
MOLECULAR FORMULA: C8H16NO5P
MOLECULAR WEIGHT: 237.190101
SMILES: CC(=CC(=O)N(C)C)OP(=O)(OC)OC
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Product OPENEYE NAME: butanoyl chloride
CAS Name: butanoyl chloride
IUPAC NAME: butanoyl chloride
SYSTEMATIC NAME: butanoyl chloride
MOLECULAR FORMULA: C4H7ClO
MOLECULAR WEIGHT: 106.55078
SMILES: CCCC(=O)Cl
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Product OPENEYE NAME: 3-iodopropanoic acid
CAS Name: 3-iodopropanoic acid
IUPAC NAME: 3-iodopropanoic acid
SYSTEMATIC NAME: 3-iodanylpropanoic acid
MOLECULAR FORMULA: C3H5IO2
MOLECULAR WEIGHT: 199.97507
SMILES: C(CI)C(=O)O
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Product OPENEYE NAME: ethyl acetate
CAS Name: acetic acid ethyl ester
IUPAC NAME: ethyl acetate
SYSTEMATIC NAME: ethyl ethanoate
MOLECULAR FORMULA: C4H8O2
MOLECULAR WEIGHT: 88.10512
SMILES: CCOC(=O)C
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Product OPENEYE NAME: 4-methylpent-3-en-2-one
CAS Name: 4-methyl-3-penten-2-one
IUPAC NAME: 4-methylpent-3-en-2-one
SYSTEMATIC NAME: 4-methylpent-3-en-2-one
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: CC(=CC(=O)C)C
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Product OPENEYE NAME: diaminomethyleneurea
CAS Name: diaminomethylideneurea
IUPAC NAME: diaminomethylideneurea
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]urea
MOLECULAR FORMULA: C2H6N4O
MOLECULAR WEIGHT: 102.09524
SMILES: C(=NC(=O)N)(N)N
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Product OPENEYE NAME: pyridine-2,6-diamine
CAS Name: pyridine-2,6-diamine
IUPAC NAME: pyridine-2,6-diamine
SYSTEMATIC NAME: pyridine-2,6-diamine
MOLECULAR FORMULA: C5H7N3
MOLECULAR WEIGHT: 109.12918
SMILES: C1=CC(=NC(=C1)N)N
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All Chemical Compounds Information

Product OPENEYE NAME: N-[2-(2-hydroxyethylamino)ethyl]octadecanamide
CAS Name: N-[2-(2-hydroxyethylamino)ethyl]octadecanamide
IUPAC NAME: N-[2-(2-hydroxyethylamino)ethyl]octadecanamide
SYSTEMATIC NAME: N-[2-(2-hydroxyethylamino)ethyl]octadecanamide
MOLECULAR FORMULA: C22H46N2O2
MOLECULAR WEIGHT: 370.61284
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCNCCO
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Product OPENEYE NAME: 12-hydroxyoctadec-9-enoic acid
CAS Name: 12-hydroxy-9-octadecenoic acid
IUPAC NAME: 12-hydroxyoctadec-9-enoic acid
SYSTEMATIC NAME: 12-oxidanyloctadec-9-enoic acid
MOLECULAR FORMULA: C18H34O3
MOLECULAR WEIGHT: 298.46076
SMILES: CCCCCCC(CC=CCCCCCCCC(=O)O)O
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Product OPENEYE NAME: methyl 12-hydroxyoctadecanoate
CAS Name: 12-hydroxyoctadecanoic acid methyl ester
IUPAC NAME: methyl 12-hydroxyoctadecanoate
SYSTEMATIC NAME: methyl 12-oxidanyloctadecanoate
MOLECULAR FORMULA: C19H38O3
MOLECULAR WEIGHT: 314.50322
SMILES: CCCCCCC(CCCCCCCCCCC(=O)OC)O
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Product OPENEYE NAME: methyl 12-hydroxyoctadec-9-enoate
CAS Name: 12-hydroxy-9-octadecenoic acid methyl ester
IUPAC NAME: methyl 12-hydroxyoctadec-9-enoate
SYSTEMATIC NAME: methyl 12-oxidanyloctadec-9-enoate
MOLECULAR FORMULA: C19H36O3
MOLECULAR WEIGHT: 312.48734
SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OC)O
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Product OPENEYE NAME: 3,7-dimethyloct-6-en-1-ol
CAS Name: 3,7-dimethyl-6-octen-1-ol
IUPAC NAME: 3,7-dimethyloct-6-en-1-ol
SYSTEMATIC NAME: 3,7-dimethyloct-6-en-1-ol
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CC(CCC=C(C)C)CCO
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Product OPENEYE NAME: 3,7-dimethylocta-2,6-dienal
CAS Name: 3,7-dimethylocta-2,6-dienal
IUPAC NAME: 3,7-dimethylocta-2,6-dienal
SYSTEMATIC NAME: 3,7-dimethylocta-2,6-dienal
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC(=CCCC(=CC=O)C)C
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Product OPENEYE NAME: diethyl hexanedioate
CAS Name: hexanedioic acid diethyl ester
IUPAC NAME: diethyl hexanedioate
SYSTEMATIC NAME: diethyl hexanedioate
MOLECULAR FORMULA: C10H18O4
MOLECULAR WEIGHT: 202.24752
SMILES: CCOC(=O)CCCCC(=O)OCC
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Product OPENEYE NAME: 2-hydroxyhexanedial
CAS Name: 2-hydroxyhexanedial
IUPAC NAME: 2-hydroxyhexanedial
SYSTEMATIC NAME: 2-oxidanylhexanedial
MOLECULAR FORMULA: C6H10O3
MOLECULAR WEIGHT: 130.1418
SMILES: C(CC=O)CC(C=O)O
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Product OPENEYE NAME: butyl prop-2-enoate
CAS Name: 2-propenoic acid butyl ester
IUPAC NAME: butyl prop-2-enoate
SYSTEMATIC NAME: butyl prop-2-enoate
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCCCOC(=O)C=C
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Product OPENEYE NAME: 2-ethylhexyl 8-(3-octyloxiran-2-yl)octanoate
CAS Name: 8-(3-octyl-2-oxiranyl)octanoic acid 2-ethylhexyl ester
IUPAC NAME: 2-ethylhexyl 8-(3-octyloxiran-2-yl)octanoate
SYSTEMATIC NAME: 2-ethylhexyl 8-(3-octyloxiran-2-yl)octanoate
MOLECULAR FORMULA: C26H50O3
MOLECULAR WEIGHT: 410.6734
SMILES: CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC(CC)CCCC
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All Chemical Compounds Information

Product OPENEYE NAME: 3-cyclopentylpropanoic acid
CAS Name: 3-cyclopentylpropanoic acid
IUPAC NAME: 3-cyclopentylpropanoic acid
SYSTEMATIC NAME: 3-cyclopentylpropanoic acid
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: C1CCC(C1)CCC(=O)O
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Product OPENEYE NAME: 1,4-dinitrosopiperazine
CAS Name: 1,4-dinitrosopiperazine
IUPAC NAME: 1,4-dinitrosopiperazine
SYSTEMATIC NAME: 1,4-dinitrosopiperazine
MOLECULAR FORMULA: C4H8N4O2
MOLECULAR WEIGHT: 144.13192
SMILES: C1CN(CCN1N=O)N=O
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Product OPENEYE NAME: 2-cyanoacetohydrazide
CAS Name: 2-cyanoacetohydrazide
IUPAC NAME: 2-cyanoacetohydrazide
SYSTEMATIC NAME: 2-cyanoethanehydrazide
MOLECULAR FORMULA: C3H5N3O
MOLECULAR WEIGHT: 99.0913
SMILES: C(C#N)C(=O)NN
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Product OPENEYE NAME: ethyl prop-2-enoate
CAS Name: 2-propenoic acid ethyl ester
IUPAC NAME: ethyl prop-2-enoate
SYSTEMATIC NAME: ethyl prop-2-enoate
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CCOC(=O)C=C
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Product OPENEYE NAME: ethoxymethanedithioic acid
CAS Name: ethoxymethanedithioic acid
IUPAC NAME: ethoxymethanedithioic acid
SYSTEMATIC NAME: ethoxymethanedithioic acid
MOLECULAR FORMULA: C3H6OS2
MOLECULAR WEIGHT: 122.20914
SMILES: CCOC(=S)S
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Product OPENEYE NAME: 1,3-bis(hydroxymethyl)urea
CAS Name: 1,3-bis(hydroxymethyl)urea
IUPAC NAME: 1,3-bis(hydroxymethyl)urea
SYSTEMATIC NAME: 1,3-bis(hydroxymethyl)urea
MOLECULAR FORMULA: C3H8N2O3
MOLECULAR WEIGHT: 120.10722
SMILES: C(NC(=O)NCO)O
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Product OPENEYE NAME: butanedioate; cadmium(2+)
CAS Name: butanedioate; cadmium(2+)
IUPAC NAME: butanedioate; cadmium(2+)
SYSTEMATIC NAME: butanedioate; cadmium(2+)
MOLECULAR FORMULA: C4H4CdO4
MOLECULAR WEIGHT: 228.48316
SMILES: C(CC(=O)[O-])C(=O)[O-].[Cd+2]
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Product OPENEYE NAME: dibutyl butanedioate
CAS Name: butanedioic acid dibutyl ester
IUPAC NAME: dibutyl butanedioate
SYSTEMATIC NAME: dibutyl butanedioate
MOLECULAR FORMULA: C12H22O4
MOLECULAR WEIGHT: 230.30068
SMILES: CCCCOC(=O)CCC(=O)OCCCC
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Product OPENEYE NAME: diisobutyl hexanedioate
CAS Name: hexanedioic acid bis(2-methylpropyl) ester
IUPAC NAME: bis(2-methylpropyl) hexanedioate
SYSTEMATIC NAME: bis(2-methylpropyl) hexanedioate
MOLECULAR FORMULA: C14H26O4
MOLECULAR WEIGHT: 258.35384
SMILES: CC(C)COC(=O)CCCCC(=O)OCC(C)C
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Product OPENEYE NAME: 1,3-bis(methoxymethyl)urea
CAS Name: 1,3-bis(methoxymethyl)urea
IUPAC NAME: 1,3-bis(methoxymethyl)urea
SYSTEMATIC NAME: 1,3-bis(methoxymethyl)urea
MOLECULAR FORMULA: C5H12N2O3
MOLECULAR WEIGHT: 148.16038
SMILES: COCNC(=O)NCOC
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Product OPENEYE NAME: 3,7-dimethyloct-7-enyl acetate
CAS Name: acetic acid 3,7-dimethyloct-7-enyl ester
IUPAC NAME: 3,7-dimethyloct-7-enyl acetate
SYSTEMATIC NAME: 3,7-dimethyloct-7-enyl ethanoate
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CC(CCCC(=C)C)CCOC(=O)C
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Product OPENEYE NAME: 3,7-dimethyloct-6-enyl propanoate
CAS Name: propanoic acid 3,7-dimethyloct-6-enyl ester
IUPAC NAME: 3,7-dimethyloct-6-enyl propanoate
SYSTEMATIC NAME: 3,7-dimethyloct-6-enyl propanoate
MOLECULAR FORMULA: C13H24O2
MOLECULAR WEIGHT: 212.32846
SMILES: CCC(=O)OCCC(C)CCC=C(C)C
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Product OPENEYE NAME: 3,7-dimethyloct-6-enyl butanoate
CAS Name: butanoic acid 3,7-dimethyloct-6-enyl ester
IUPAC NAME: 3,7-dimethyloct-6-enyl butanoate
SYSTEMATIC NAME: 3,7-dimethyloct-6-enyl butanoate
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CCCC(=O)OCCC(C)CCC=C(C)C
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Product OPENEYE NAME: bis[2-(2-butoxyethoxy)ethyl] hexanedioate
CAS Name: hexanedioic acid bis[2-(2-butoxyethoxy)ethyl] ester
IUPAC NAME: bis[2-(2-butoxyethoxy)ethyl] hexanedioate
SYSTEMATIC NAME: bis[2-(2-butoxyethoxy)ethyl] hexanedioate
MOLECULAR FORMULA: C22H42O8
MOLECULAR WEIGHT: 434.56408
SMILES: CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC
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Product OPENEYE NAME: bis(2-butoxyethyl) hexanedioate
CAS Name: hexanedioic acid bis(2-butoxyethyl) ester
IUPAC NAME: bis(2-butoxyethyl) hexanedioate
SYSTEMATIC NAME: bis(2-butoxyethyl) hexanedioate
MOLECULAR FORMULA: C18H34O6
MOLECULAR WEIGHT: 346.45896
SMILES: CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC
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All Chemical Compounds Information

Product OPENEYE NAME: p-tolyl acetate
CAS Name: acetic acid (4-methylphenyl) ester
IUPAC NAME: (4-methylphenyl) acetate
SYSTEMATIC NAME: (4-methylphenyl) ethanoate
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC1=CC=C(C=C1)OC(=O)C
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Product OPENEYE NAME: N-(5-nitrothiazol-2-yl)acetamide
CAS Name: N-(5-nitro-2-thiazolyl)acetamide
IUPAC NAME: N-(5-nitro-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: N-(5-nitro-1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C5H5N3O3S
MOLECULAR WEIGHT: 187.1765
SMILES: CC(=O)NC1=NC=C(S1)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(4-chlorophenyl)-1,1-dimethyl-urea; 2,2,2-trichloroacetic acid
CAS Name: 3-(4-chlorophenyl)-1,1-dimethylurea; 2,2,2-trichloroacetic acid
IUPAC NAME: 3-(4-chlorophenyl)-1,1-dimethylurea; 2,2,2-trichloroacetic acid
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1,1-dimethyl-urea; 2,2,2-tris(chloranyl)ethanoic acid
MOLECULAR FORMULA: C11H12Cl4N2O3
MOLECULAR WEIGHT: 362.03658
SMILES: CN(C)C(=O)NC1=CC=C(C=C1)Cl.C(=O)(C(Cl)(Cl)Cl)O
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Product OPENEYE NAME: 3-(4-chlorophenyl)-1,1-dimethyl-urea
CAS Name: 3-(4-chlorophenyl)-1,1-dimethylurea
IUPAC NAME: 3-(4-chlorophenyl)-1,1-dimethylurea
SYSTEMATIC NAME: 3-(4-chlorophenyl)-1,1-dimethyl-urea
MOLECULAR FORMULA: C9H11ClN2O
MOLECULAR WEIGHT: 198.64944
SMILES: CN(C)C(=O)NC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: [4-(hydroxymethoxycarbonylamino)phenyl]arsonic acid
CAS Name: [4-[[hydroxymethoxy(oxo)methyl]amino]phenyl]arsonic acid
IUPAC NAME: [4-(hydroxymethoxycarbonylamino)phenyl]arsonic acid
SYSTEMATIC NAME: [4-(hydroxymethyloxycarbonylamino)phenyl]arsonic acid
MOLECULAR FORMULA: C8H10AsNO6
MOLECULAR WEIGHT: 291.0897
SMILES: C1=CC(=CC=C1NC(=O)OCO)[As](=O)(O)O
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Product OPENEYE NAME: sodium 3-[(4-nitrophenyl)carbamoylamino]propanoate
CAS Name: sodium 3-[[(4-nitroanilino)-oxomethyl]amino]propanoate
IUPAC NAME: sodium 3-[(4-nitrophenyl)carbamoylamino]propanoate
SYSTEMATIC NAME: sodium 3-[(4-nitrophenyl)carbamoylamino]propanoate
MOLECULAR FORMULA: C10H10N3NaO5
MOLECULAR WEIGHT: 275.19327
SMILES: C1=CC(=CC=C1NC(=O)NCCC(=O)[O-])[N+](=O)[O-].[Na+]
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Product OPENEYE NAME: 3-[(4-nitrophenyl)carbamoylamino]propanoic acid
CAS Name: 3-[[(4-nitroanilino)-oxomethyl]amino]propanoic acid
IUPAC NAME: 3-[(4-nitrophenyl)carbamoylamino]propanoic acid
SYSTEMATIC NAME: 3-[(4-nitrophenyl)carbamoylamino]propanoic acid
MOLECULAR FORMULA: C10H11N3O5
MOLECULAR WEIGHT: 253.21144
SMILES: C1=CC(=CC=C1NC(=O)NCCC(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: N-[4-(2-chloroacetyl)phenyl]acetamide
CAS Name: N-[4-(2-chloro-1-oxoethyl)phenyl]acetamide
IUPAC NAME: N-[4-(2-chloroacetyl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(2-chloranylethanoyl)phenyl]ethanamide
MOLECULAR FORMULA: C10H10ClNO2
MOLECULAR WEIGHT: 211.6449
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)CCl
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Product OPENEYE NAME: 2,2-bis(4-chlorophenyl)acetonitrile
CAS Name: 2,2-bis(4-chlorophenyl)acetonitrile
IUPAC NAME: 2,2-bis(4-chlorophenyl)acetonitrile
SYSTEMATIC NAME: 2,2-bis(4-chlorophenyl)ethanenitrile
MOLECULAR FORMULA: C14H9Cl2N
MOLECULAR WEIGHT: 262.13396
SMILES: C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)Cl)Cl
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Product OPENEYE NAME: [4-(dimethylamino)phenyl]iminosulfamic acid
CAS Name: [4-(dimethylamino)phenyl]iminosulfamic acid
IUPAC NAME: [4-(dimethylamino)phenyl]iminosulfamic acid
SYSTEMATIC NAME: [4-(dimethylamino)phenyl]iminosulfamic acid
MOLECULAR FORMULA: C8H11N3O3S
MOLECULAR WEIGHT: 229.25624
SMILES: CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)O
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Product OPENEYE NAME: [2-(4-tert-butylphenoxy)-1-methyl-ethyl] 2-chloroethyl sulfite
CAS Name: sulfurous acid 1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl ester
IUPAC NAME: 1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl sulfite
SYSTEMATIC NAME: 1-(4-tert-butylphenoxy)propan-2-yl 2-chloroethyl sulfite
MOLECULAR FORMULA: C15H23ClO4S
MOLECULAR WEIGHT: 334.85872
SMILES: CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl
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Product OPENEYE NAME: 4-[2-(4-carbamimidoylphenyl)vinyl]benzamidine
CAS Name: 4-[2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
IUPAC NAME: 4-[2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
SYSTEMATIC NAME: 4-[2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
MOLECULAR FORMULA: C16H16N4
MOLECULAR WEIGHT: 264.32504
SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=N)N)C(=N)N
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Product OPENEYE NAME: 4-decylbenzenesulfonic acid
CAS Name: 4-decylbenzenesulfonic acid
IUPAC NAME: 4-decylbenzenesulfonic acid
SYSTEMATIC NAME: 4-decylbenzenesulfonic acid
MOLECULAR FORMULA: C16H26O3S
MOLECULAR WEIGHT: 298.44084
SMILES: CCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O
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Product OPENEYE NAME: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzamidine; 2-hydroxyethanesulfonic acid
CAS Name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
IUPAC NAME: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid
SYSTEMATIC NAME: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-oxidanylethanesulfonic acid
MOLECULAR FORMULA: C23H36N4O10S2
MOLECULAR WEIGHT: 592.68274
SMILES: C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
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Product OPENEYE NAME: 4-(1,1,3,3-tetramethylbutyl)phenol
CAS Name: 4-(2,4,4-trimethylpentan-2-yl)phenol
IUPAC NAME: 4-(2,4,4-trimethylpentan-2-yl)phenol
SYSTEMATIC NAME: 4-(2,4,4-trimethylpentan-2-yl)phenol
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
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Product OPENEYE NAME: 1-allyl-4-methoxy-benzene
CAS Name: 1-methoxy-4-prop-2-enylbenzene
IUPAC NAME: 1-methoxy-4-prop-2-enylbenzene
SYSTEMATIC NAME: 1-methoxy-4-prop-2-enyl-benzene
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: COC1=CC=C(C=C1)CC=C
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Product OPENEYE NAME: 1-hexadecylpyridin-1-ium bromide
CAS Name: 1-hexadecylpyridin-1-ium bromide
IUPAC NAME: 1-hexadecylpyridin-1-ium bromide
SYSTEMATIC NAME: 1-hexadecylpyridin-1-ium bromide
MOLECULAR FORMULA: C21H38BrN
MOLECULAR WEIGHT: 384.43712
SMILES: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]
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Product OPENEYE NAME: 2-methyl-5-vinyl-pyridine
CAS Name: 5-ethenyl-2-methylpyridine
IUPAC NAME: 5-ethenyl-2-methylpyridine
SYSTEMATIC NAME: 5-ethenyl-2-methyl-pyridine
MOLECULAR FORMULA: C8H9N
MOLECULAR WEIGHT: 119.16376
SMILES: CC1=NC=C(C=C1)C=C
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All Chemical Compounds Information

Product OPENEYE NAME: 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid
CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid
IUPAC NAME: 2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanoic acid
MOLECULAR FORMULA: C10H18N2O7
MOLECULAR WEIGHT: 278.25912
SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCO)CC(=O)O
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Product OPENEYE NAME: 2-amino-4-(3-amino-4-hydroxy-phenyl)arsanylidenearsanyl-phenol dihydrochloride
CAS Name: 2-amino-4-(3-amino-4-hydroxyphenyl)arsinylidenearsinylphenol dihydrochloride
IUPAC NAME: 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol dihydrochloride
SYSTEMATIC NAME: 2-azanyl-4-(3-azanyl-4-oxidanyl-phenyl)arsanylidenearsanyl-phenol dihydrochloride
MOLECULAR FORMULA: C12H14As2Cl2N2O2
MOLECULAR WEIGHT: 439.00096
SMILES: C1=CC(=C(C=C1[As]=[As]C2=CC(=C(C=C2)O)N)N)O.Cl.Cl
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Product OPENEYE NAME: 2-amino-4-(3-amino-4-hydroxy-phenyl)arsanylidenearsanyl-phenol
CAS Name: 2-amino-4-(3-amino-4-hydroxyphenyl)arsinylidenearsinylphenol
IUPAC NAME: 2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol
SYSTEMATIC NAME: 2-azanyl-4-(3-azanyl-4-oxidanyl-phenyl)arsanylidenearsanyl-phenol
MOLECULAR FORMULA: C12H12As2N2O2
MOLECULAR WEIGHT: 366.07908
SMILES: C1=CC(=C(C=C1[As]=[As]C2=CC(=C(C=C2)O)N)N)O
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Product OPENEYE NAME: 1-ethyl-3-(5-nitrothiazol-2-yl)urea
CAS Name: 1-ethyl-3-(5-nitro-2-thiazolyl)urea
IUPAC NAME: 1-ethyl-3-(5-nitro-1,3-thiazol-2-yl)urea
SYSTEMATIC NAME: 1-ethyl-3-(5-nitro-1,3-thiazol-2-yl)urea
MOLECULAR FORMULA: C6H8N4O3S
MOLECULAR WEIGHT: 216.21772
SMILES: CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-]
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Product OPENEYE NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; dodecyl hydrogen sulfate
CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; sulfuric acid dodecyl ester
IUPAC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; dodecyl hydrogen sulfate
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanol; dodecyl hydrogen sulfate
MOLECULAR FORMULA: C18H41NO7S
MOLECULAR WEIGHT: 415.58564
SMILES: CCCCCCCCCCCCOS(=O)(=O)O.C(CO)N(CCO)CCO
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Product OPENEYE NAME: dodecyl hydrogen sulfate
CAS Name: sulfuric acid dodecyl ester
IUPAC NAME: dodecyl hydrogen sulfate
SYSTEMATIC NAME: dodecyl hydrogen sulfate
MOLECULAR FORMULA: C12H26O4S
MOLECULAR WEIGHT: 266.39744
SMILES: CCCCCCCCCCCCOS(=O)(=O)O
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Product OPENEYE NAME: pentasodium 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
CAS Name: pentasodium 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
IUPAC NAME: pentasodium 2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
SYSTEMATIC NAME: pentasodium 2-[bis[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate
MOLECULAR FORMULA: C14H18N3Na5O10
MOLECULAR WEIGHT: 503.25567
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
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Product OPENEYE NAME: methyl 12-acetoxyoctadec-9-enoate
CAS Name: 12-acetyloxy-9-octadecenoic acid methyl ester
IUPAC NAME: methyl 12-acetyloxyoctadec-9-enoate
SYSTEMATIC NAME: methyl 12-acetyloxyoctadec-9-enoate
MOLECULAR FORMULA: C21H38O4
MOLECULAR WEIGHT: 354.52402
SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C
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Product OPENEYE NAME: butyl 12-acetoxyoctadec-9-enoate
CAS Name: 12-acetyloxy-9-octadecenoic acid butyl ester
IUPAC NAME: butyl 12-acetyloxyoctadec-9-enoate
SYSTEMATIC NAME: butyl 12-acetyloxyoctadec-9-enoate
MOLECULAR FORMULA: C24H44O4
MOLECULAR WEIGHT: 396.60376
SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCCCC)OC(=O)C
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Product OPENEYE NAME: 2-methoxyethyl 12-acetoxyoctadec-9-enoate
CAS Name: 12-acetyloxy-9-octadecenoic acid 2-methoxyethyl ester
IUPAC NAME: 2-methoxyethyl 12-acetyloxyoctadec-9-enoate
SYSTEMATIC NAME: 2-methoxyethyl 12-acetyloxyoctadec-9-enoate
MOLECULAR FORMULA: C23H42O5
MOLECULAR WEIGHT: 398.57658
SMILES: CCCCCCC(CC=CCCCCCCCC(=O)OCCOC)OC(=O)C
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Product OPENEYE NAME: tris(2-chloroethyl) phosphite
CAS Name: phosphorous acid tris(2-chloroethyl) ester
IUPAC NAME: tris(2-chloroethyl) phosphite
SYSTEMATIC NAME: tris(2-chloroethyl) phosphite
MOLECULAR FORMULA: C6H12Cl3O3P
MOLECULAR WEIGHT: 269.490441
SMILES: C(CCl)OP(OCCCl)OCCCl
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Product OPENEYE NAME: 3-phenylprop-2-enoic acid
CAS Name: 3-phenyl-2-propenoic acid
IUPAC NAME: 3-phenylprop-2-enoic acid
SYSTEMATIC NAME: 3-phenylprop-2-enoic acid
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: C1=CC=C(C=C1)C=CC(=O)O
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Product OPENEYE NAME: benzyl acetate
CAS Name: acetic acid (phenylmethyl) ester
IUPAC NAME: benzyl acetate
SYSTEMATIC NAME: (phenylmethyl) ethanoate
MOLECULAR FORMULA: C9H10O2
MOLECULAR WEIGHT: 150.1745
SMILES: CC(=O)OCC1=CC=CC=C1
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Product OPENEYE NAME: benzyl 2-chloroacetate
CAS Name: 2-chloroacetic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-chloroacetate
SYSTEMATIC NAME: (phenylmethyl) 2-chloranylethanoate
MOLECULAR FORMULA: C9H9ClO2
MOLECULAR WEIGHT: 184.61956
SMILES: C1=CC=C(C=C1)COC(=O)CCl
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Product OPENEYE NAME: 4-benzyloxy-4-oxo-butanoic acid
CAS Name: 4-oxo-4-phenylmethoxybutanoic acid
IUPAC NAME: 4-oxo-4-phenylmethoxybutanoic acid
SYSTEMATIC NAME: 4-oxidanylidene-4-phenylmethoxy-butanoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: C1=CC=C(C=C1)COC(=O)CCC(=O)O
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Product OPENEYE NAME: 1,3-dianilinourea
CAS Name: 1,3-dianilinourea
IUPAC NAME: 1,3-dianilinourea
SYSTEMATIC NAME: 1,3-bis(phenylazanyl)urea
MOLECULAR FORMULA: C13H14N4O
MOLECULAR WEIGHT: 242.27646
SMILES: C1=CC=C(C=C1)NNC(=O)NNC2=CC=CC=C2
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Product OPENEYE NAME: dibenzyl decanedioate
CAS Name: decanedioic acid bis(phenylmethyl) ester
IUPAC NAME: dibenzyl decanedioate
SYSTEMATIC NAME: bis(phenylmethyl) decanedioate
MOLECULAR FORMULA: C24H30O4
MOLECULAR WEIGHT: 382.4926
SMILES: C1=CC=C(C=C1)COC(=O)CCCCCCCCC(=O)OCC2=CC=CC=C2
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Product OPENEYE NAME: benzyl dodecanoate
CAS Name: dodecanoic acid (phenylmethyl) ester
IUPAC NAME: benzyl dodecanoate
SYSTEMATIC NAME: (phenylmethyl) dodecanoate
MOLECULAR FORMULA: C19H30O2
MOLECULAR WEIGHT: 290.4403
SMILES: CCCCCCCCCCCC(=O)OCC1=CC=CC=C1
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Product OPENEYE NAME: 2-phenylethyl 3-methylbutanoate
CAS Name: 3-methylbutanoic acid 2-phenylethyl ester
IUPAC NAME: 2-phenylethyl 3-methylbutanoate
SYSTEMATIC NAME: 2-phenylethyl 3-methylbutanoate
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC(C)CC(=O)OCCC1=CC=CC=C1
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Product OPENEYE NAME: N,N'-dibenzylethane-1,2-diamine
CAS Name: N,N'-bis(phenylmethyl)ethane-1,2-diamine
IUPAC NAME: N,N'-dibenzylethane-1,2-diamine
SYSTEMATIC NAME: N,N'-bis(phenylmethyl)ethane-1,2-diamine
MOLECULAR FORMULA: C16H20N2
MOLECULAR WEIGHT: 240.3434
SMILES: C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
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Product OPENEYE NAME: 2-phenylacetonitrile
CAS Name: 2-phenylacetonitrile
IUPAC NAME: 2-phenylacetonitrile
SYSTEMATIC NAME: 2-phenylethanenitrile
MOLECULAR FORMULA: C8H7N
MOLECULAR WEIGHT: 117.14788
SMILES: C1=CC=C(C=C1)CC#N
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Product OPENEYE NAME: 2-piperazin-1-ylethanamine
CAS Name: 2-(1-piperazinyl)ethanamine
IUPAC NAME: 2-piperazin-1-ylethanamine
SYSTEMATIC NAME: 2-piperazin-1-ylethanamine
MOLECULAR FORMULA: C6H15N3
MOLECULAR WEIGHT: 129.2034
SMILES: C1CN(CCN1)CCN
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Product OPENEYE NAME: (4-chlorophenyl)urea
CAS Name: (4-chlorophenyl)urea
IUPAC NAME: (4-chlorophenyl)urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)urea
MOLECULAR FORMULA: C7H7ClN2O
MOLECULAR WEIGHT: 170.59628
SMILES: C1=CC(=CC=C1NC(=O)N)Cl
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All Chemical Compounds Information

Product OPENEYE NAME: (4-carboxyphenyl)mercury
CAS Name: (4-carboxyphenyl)mercury
IUPAC NAME: (4-carboxyphenyl)mercury
SYSTEMATIC NAME: (4-carboxyphenyl)mercury
MOLECULAR FORMULA: C7H5HgO2
MOLECULAR WEIGHT: 321.7034
SMILES: C1=CC(=CC=C1C(=O)O)[Hg]
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Product OPENEYE NAME: 4-isopropenyl-1-methyl-cyclohexanol
CAS Name: 1-methyl-4-(1-methylethenyl)-1-cyclohexanol
IUPAC NAME: 1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
SYSTEMATIC NAME: 1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC(=C)C1CCC(CC1)(C)O
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Product OPENEYE NAME: N,N-dimethyl-4-nitroso-aniline
CAS Name: N,N-dimethyl-4-nitrosoaniline
IUPAC NAME: N,N-dimethyl-4-nitrosoaniline
SYSTEMATIC NAME: N,N-dimethyl-4-nitroso-aniline
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CN(C)C1=CC=C(C=C1)N=O
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Product OPENEYE NAME: calcium N-cyclohexylsulfamate
CAS Name: calcium N-cyclohexylsulfamate
IUPAC NAME: calcium N-cyclohexylsulfamate
SYSTEMATIC NAME: calcium N-cyclohexylsulfamate
MOLECULAR FORMULA: C12H24CaN2O6S2
MOLECULAR WEIGHT: 396.53676
SMILES: C1CCC(CC1)NS(=O)(=O)[O-].C1CCC(CC1)NS(=O)(=O)[O-].[Ca+2]
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Product OPENEYE NAME: benzyl-dodecyl-dimethyl-ammonium chloride
CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium chloride
IUPAC NAME: benzyl-dodecyl-dimethylazanium chloride
SYSTEMATIC NAME: dodecyl-dimethyl-(phenylmethyl)azanium chloride
MOLECULAR FORMULA: C21H38ClN
MOLECULAR WEIGHT: 339.98612
SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
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Product OPENEYE NAME: benzyl-dodecyl-dimethyl-ammonium
CAS Name: dodecyl-dimethyl-(phenylmethyl)ammonium
IUPAC NAME: benzyl-dodecyl-dimethylazanium
SYSTEMATIC NAME: dodecyl-dimethyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C21H38N+
MOLECULAR WEIGHT: 304.53312
SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
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Product OPENEYE NAME: benzyl-dimethyl-tetradecyl-ammonium chloride
CAS Name: dimethyl-(phenylmethyl)-tetradecylammonium chloride
IUPAC NAME: benzyl-dimethyl-tetradecylazanium chloride
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-tetradecyl-azanium chloride
MOLECULAR FORMULA: C23H42ClN
MOLECULAR WEIGHT: 368.03928
SMILES: CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
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Product OPENEYE NAME: benzyl-dimethyl-tetradecyl-ammonium
CAS Name: dimethyl-(phenylmethyl)-tetradecylammonium
IUPAC NAME: benzyl-dimethyl-tetradecylazanium
SYSTEMATIC NAME: dimethyl-(phenylmethyl)-tetradecyl-azanium
MOLECULAR FORMULA: C23H42N+
MOLECULAR WEIGHT: 332.58628
SMILES: CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
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Product OPENEYE NAME: aluminum triacetate
CAS Name: aluminum triacetate
IUPAC NAME: aluminum triacetate
SYSTEMATIC NAME: aluminum triethanoate
MOLECULAR FORMULA: C6H9AlO6
MOLECULAR WEIGHT: 204.113598
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3]
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Product OPENEYE NAME: 2-[bis(carboxymethyl)amino]acetic acid
CAS Name: 2-[bis(carboxymethyl)amino]acetic acid
IUPAC NAME: 2-[bis(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C6H9NO6
MOLECULAR WEIGHT: 191.13876
SMILES: C(C(=O)O)N(CC(=O)O)CC(=O)O
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Product OPENEYE NAME: disodium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
CAS Name: disodium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
IUPAC NAME: disodium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
SYSTEMATIC NAME: disodium 2-[2-hydroxy-2-oxoethyl-[2-[2-hydroxy-2-oxoethyl-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl]amino]ethanoate
MOLECULAR FORMULA: C10H14N2Na2O8
MOLECULAR WEIGHT: 336.2063
SMILES: C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 2-[bis(2-hydroxyethyl)amino]acetic acid
CAS Name: 2-[bis(2-hydroxyethyl)amino]acetic acid
IUPAC NAME: 2-[bis(2-hydroxyethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[bis(2-hydroxyethyl)amino]ethanoic acid
MOLECULAR FORMULA: C6H13NO4
MOLECULAR WEIGHT: 163.17172
SMILES: C(CO)N(CCO)CC(=O)O
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Product OPENEYE NAME: cerium; oxalate
CAS Name: cerium; oxalate
IUPAC NAME: cerium; oxalate
SYSTEMATIC NAME: cerium; ethanedioate
MOLECULAR FORMULA: C2Ce2O4-2
MOLECULAR WEIGHT: 368.251
SMILES: C(=O)(C(=O)[O-])[O-].[Ce].[Ce]
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Product OPENEYE NAME: 2,3-di(propanoyloxy)propyl propanoate
CAS Name: propanoic acid 2,3-bis(1-oxopropoxy)propyl ester
IUPAC NAME: 2,3-di(propanoyloxy)propyl propanoate
SYSTEMATIC NAME: 2,3-di(propanoyloxy)propyl propanoate
MOLECULAR FORMULA: C12H20O6
MOLECULAR WEIGHT: 260.2836
SMILES: CCC(=O)OCC(COC(=O)CC)OC(=O)CC
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Product OPENEYE NAME: 4-phenoxyaniline
CAS Name: 4-phenoxyaniline
IUPAC NAME: 4-phenoxyaniline
SYSTEMATIC NAME: 4-phenoxyaniline
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)N
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Product OPENEYE NAME: 4-(4-aminophenyl)sulfanylaniline
CAS Name: 4-[(4-aminophenyl)thio]aniline
IUPAC NAME: 4-(4-aminophenyl)sulfanylaniline
SYSTEMATIC NAME: 4-(4-aminophenyl)sulfanylaniline
MOLECULAR FORMULA: C12H12N2S
MOLECULAR WEIGHT: 216.30208
SMILES: C1=CC(=CC=C1N)SC2=CC=C(C=C2)N
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Product OPENEYE NAME: phenylsulfanylbenzene
CAS Name: (phenylthio)benzene
IUPAC NAME: phenylsulfanylbenzene
SYSTEMATIC NAME: phenylsulfanylbenzene
MOLECULAR FORMULA: C12H10S
MOLECULAR WEIGHT: 186.2728
SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2
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Product OPENEYE NAME: 3,7-dimethyloct-6-enyl 2-phenylacetate
CAS Name: 2-phenylacetic acid 3,7-dimethyloct-6-enyl ester
IUPAC NAME: 3,7-dimethyloct-6-enyl 2-phenylacetate
SYSTEMATIC NAME: 3,7-dimethyloct-6-enyl 2-phenylethanoate
MOLECULAR FORMULA: C18H26O2
MOLECULAR WEIGHT: 274.39784
SMILES: CC(CCC=C(C)C)CCOC(=O)CC1=CC=CC=C1
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Product OPENEYE NAME: 3,4-dihydroxybenzaldehyde
CAS Name: 3,4-dihydroxybenzaldehyde
IUPAC NAME: 3,4-dihydroxybenzaldehyde
SYSTEMATIC NAME: 3,4-bis(oxidanyl)benzaldehyde
MOLECULAR FORMULA: C7H6O3
MOLECULAR WEIGHT: 138.12074
SMILES: C1=CC(=C(C=C1C=O)O)O
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Product OPENEYE NAME: 2-[ethyl(2-hydroxyethyl)amino]ethanol
CAS Name: 2-[ethyl(2-hydroxyethyl)amino]ethanol
IUPAC NAME: 2-[ethyl(2-hydroxyethyl)amino]ethanol
SYSTEMATIC NAME: 2-[ethyl(2-hydroxyethyl)amino]ethanol
MOLECULAR FORMULA: C6H15NO2
MOLECULAR WEIGHT: 133.1888
SMILES: CCN(CCO)CCO
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Product OPENEYE NAME: (4-ethyl-1-isobutyl-octyl) hydrogen sulfate
CAS Name: sulfuric acid (7-ethyl-2-methylundecan-4-yl) ester
IUPAC NAME: (7-ethyl-2-methylundecan-4-yl) hydrogen sulfate
SYSTEMATIC NAME: (7-ethyl-2-methyl-undecan-4-yl) hydrogen sulfate
MOLECULAR FORMULA: C14H30O4S
MOLECULAR WEIGHT: 294.4506
SMILES: CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O
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Product OPENEYE NAME: trisodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
CAS Name: trisodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
IUPAC NAME: trisodium 2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate
SYSTEMATIC NAME: trisodium 2-[2-[bis(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanoate
MOLECULAR FORMULA: C10H15N2Na3O7
MOLECULAR WEIGHT: 344.20461
SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CCO)CC(=O)[O-].[Na+].[Na+].[Na+]
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All Chemical Compounds Information

Product OPENEYE NAME: 2,4-di(nonyl)phenol
CAS Name: 2,4-di(nonyl)phenol
IUPAC NAME: 2,4-di(nonyl)phenol
SYSTEMATIC NAME: 2,4-di(nonyl)phenol
MOLECULAR FORMULA: C24H42O
MOLECULAR WEIGHT: 346.58968
SMILES: CCCCCCCCCC1=CC(=C(C=C1)O)CCCCCCCCC
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Product OPENEYE NAME: disodium 2-hydroxybutanedioate
CAS Name: disodium 2-hydroxybutanedioate
IUPAC NAME: disodium 2-hydroxybutanedioate
SYSTEMATIC NAME: disodium 2-oxidanylbutanedioate
MOLECULAR FORMULA: C4H4Na2O5
MOLECULAR WEIGHT: 178.0511
SMILES: C(C(C(=O)[O-])O)C(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: 2-aminopentanedioic acid hydrochloride
CAS Name: 2-aminopentanedioic acid hydrochloride
IUPAC NAME: 2-aminopentanedioic acid hydrochloride
SYSTEMATIC NAME: 2-azanylpentanedioic acid hydrochloride
MOLECULAR FORMULA: C5H10ClNO4
MOLECULAR WEIGHT: 183.5902
SMILES: C(CC(=O)O)C(C(=O)O)N.Cl
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Product OPENEYE NAME: butyl 2-hydroxypropanoate
CAS Name: 2-hydroxypropanoic acid butyl ester
IUPAC NAME: butyl 2-hydroxypropanoate
SYSTEMATIC NAME: butyl 2-oxidanylpropanoate
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: CCCCOC(=O)C(C)O
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Product OPENEYE NAME: 4-sulfamoylbenzoic acid
CAS Name: 4-sulfamoylbenzoic acid
IUPAC NAME: 4-sulfamoylbenzoic acid
SYSTEMATIC NAME: 4-sulfamoylbenzoic acid
MOLECULAR FORMULA: C7H7NO4S
MOLECULAR WEIGHT: 201.19978
SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)N
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Product OPENEYE NAME: 4-nitrobenzenesulfonic acid
CAS Name: 4-nitrobenzenesulfonic acid
IUPAC NAME: 4-nitrobenzenesulfonic acid
SYSTEMATIC NAME: 4-nitrobenzenesulfonic acid
MOLECULAR FORMULA: C6H5NO5S
MOLECULAR WEIGHT: 203.1726
SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)O
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Product OPENEYE NAME: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid
CAS Name: (3R,4S,5R)-3,4,5-trihydroxy-1-cyclohexenecarboxylic acid
IUPAC NAME: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid
SYSTEMATIC NAME: (3R,4S,5R)-3,4,5-tris(oxidanyl)cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C7H10O5
MOLECULAR WEIGHT: 174.1513
SMILES: C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O
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Product OPENEYE NAME: 4-oxo-1H-pyridine-2,6-dicarboxylic acid
CAS Name: 4-oxo-1H-pyridine-2,6-dicarboxylic acid
IUPAC NAME: 4-oxo-1H-pyridine-2,6-dicarboxylic acid
SYSTEMATIC NAME: 4-oxidanylidene-1H-pyridine-2,6-dicarboxylic acid
MOLECULAR FORMULA: C7H5NO5
MOLECULAR WEIGHT: 183.1183
SMILES: C1=C(NC(=CC1=O)C(=O)O)C(=O)O
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Product OPENEYE NAME: 4-(2-amino-1-hydroxy-propyl)benzene-1,2-diol hydrochloride
CAS Name: 4-(2-amino-1-hydroxypropyl)benzene-1,2-diol hydrochloride
IUPAC NAME: 4-(2-amino-1-hydroxypropyl)benzene-1,2-diol hydrochloride
SYSTEMATIC NAME: 4-(2-azanyl-1-oxidanyl-propyl)benzene-1,2-diol hydrochloride
MOLECULAR FORMULA: C9H14ClNO3
MOLECULAR WEIGHT: 219.66536
SMILES: CC(C(C1=CC(=C(C=C1)O)O)O)N.Cl
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