Product OPENEYE NAME: 2,2-dimethyl-3-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclopropanecarboxylic acid
CAS Name: 2,2-dimethyl-3-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-1-cyclopropanecarboxylic acid
IUPAC NAME: 2,2-dimethyl-3-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclopropane-1-carboxylic acid
SYSTEMATIC NAME: 2,2-dimethyl-3-[(Z)-1,3,3,3-tetrakis(fluoranyl)prop-1-enyl]cyclopropane-1-carboxylic acid
MOLECULAR FORMULA: C9H10F4O2
MOLECULAR WEIGHT: 226.168113
SMILES: CC1(C(C1C(=O)O)/C(=C/C(F)(F)F)/F)C
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Product OPENEYE NAME: 2-ethyl-1,1-dimethyl-3-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclopropane
CAS Name: 2-ethyl-1,1-dimethyl-3-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclopropane
IUPAC NAME: 2-ethyl-1,1-dimethyl-3-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]cyclopropane
SYSTEMATIC NAME: 2-ethyl-1,1-dimethyl-3-[(Z)-1,3,3,3-tetrakis(fluoranyl)prop-1-enyl]cyclopropane
MOLECULAR FORMULA: C10H14F4
MOLECULAR WEIGHT: 210.211773
SMILES: CCC1C(C1(C)C)/C(=C/C(F)(F)F)/F
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Product OPENEYE NAME: O1-methyl O4-octyl butanedioate
CAS Name: butanedioic acid O1-methyl ester O4-octyl ester
IUPAC NAME: 1-O-methyl 4-O-octyl butanedioate
SYSTEMATIC NAME: O1-methyl O4-octyl butanedioate
MOLECULAR FORMULA: C13H24O4
MOLECULAR WEIGHT: 244.32726
SMILES: CCCCCCCCOC(=O)CCC(=O)OC
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Product OPENEYE NAME: disodium 2,3-dihydroxyterephthalate
CAS Name: disodium 2,3-dihydroxyterephthalate
IUPAC NAME: disodium 2,3-dihydroxyterephthalate
SYSTEMATIC NAME: disodium 2,3-bis(oxidanyl)terephthalate
MOLECULAR FORMULA: C8H4Na2O6
MOLECULAR WEIGHT: 242.0933
SMILES: C1=CC(=C(C(=C1C(=O)[O-])O)O)C(=O)[O-].[Na+].[Na+]
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Product OPENEYE NAME: N-[3-(4-aminobutylamino)-1-(2,3-dihydroxybenzoyl)propyl]-N-(2,3-dihydroxybenzoyl)-2,3-dihydroxy-benzamide
CAS Name: N-[4-(4-aminobutylamino)-1-(2,3-dihydroxyphenyl)-1-oxobutan-2-yl]-N-[(2,3-dihydroxyphenyl)-oxomethyl]-2,3-dihydroxybenzamide
IUPAC NAME: N-[4-(4-aminobutylamino)-1-(2,3-dihydroxyphenyl)-1-oxobutan-2-yl]-N-(2,3-dihydroxybenzoyl)-2,3-dihydroxybenzamide
SYSTEMATIC NAME: N-[4-(4-azanylbutylamino)-1-[2,3-bis(oxidanyl)phenyl]-1-oxidanylidene-butan-2-yl]-N-[2,3-bis(oxidanyl)phenyl]carbonyl-2,3-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C28H31N3O9
MOLECULAR WEIGHT: 553.56044
SMILES: C1=CC(=C(C(=C1)O)O)C(=O)C(CCNCCCCN)N(C(=O)C2=C(C(=CC=C2)O)O)C(=O)C3=C(C(=CC=C3)O)O
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Product OPENEYE NAME: N-decyl-N'-[3-(decylamino)propyl]butane-1,4-diamine
CAS Name: N-decyl-N'-[3-(decylamino)propyl]butane-1,4-diamine
IUPAC NAME: N-decyl-N'-[3-(decylamino)propyl]butane-1,4-diamine
SYSTEMATIC NAME: N-decyl-N'-[3-(decylamino)propyl]butane-1,4-diamine
MOLECULAR FORMULA: C27H59N3
MOLECULAR WEIGHT: 425.77746
SMILES: CCCCCCCCCCNCCCCNCCCNCCCCCCCCCC
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Product OPENEYE NAME: 10-isopropyl-11-methyl-dodecane-1,6,10-triamine
CAS Name: 11-methyl-10-propan-2-yldodecane-1,6,10-triamine
IUPAC NAME: 11-methyl-10-propan-2-yldodecane-1,6,10-triamine
SYSTEMATIC NAME: 11-methyl-10-propan-2-yl-dodecane-1,6,10-triamine
MOLECULAR FORMULA: C16H37N3
MOLECULAR WEIGHT: 271.48508
SMILES: CC(C)C(CCCC(CCCCCN)N)(C(C)C)N
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Product OPENEYE NAME: 1,5-dihydroxy-5,6-dimethyl-cyclohex-2-ene-1,4-dicarboxylate
CAS Name: 1,5-dihydroxy-5,6-dimethylcyclohex-2-ene-1,4-dicarboxylate
IUPAC NAME: 1,5-dihydroxy-5,6-dimethylcyclohex-2-ene-1,4-dicarboxylate
SYSTEMATIC NAME: 5,6-dimethyl-1,5-bis(oxidanyl)cyclohex-2-ene-1,4-dicarboxylate
MOLECULAR FORMULA: C10H12O6-2
MOLECULAR WEIGHT: 228.19868
SMILES: CC1C(C(C=CC1(C(=O)[O-])O)C(=O)[O-])(C)O
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Product OPENEYE NAME: 1,5-dihydroxy-5,6-dimethyl-cyclohex-2-ene-1,4-dicarboxylic acid
CAS Name: 1,5-dihydroxy-5,6-dimethylcyclohex-2-ene-1,4-dicarboxylic acid
IUPAC NAME: 1,5-dihydroxy-5,6-dimethylcyclohex-2-ene-1,4-dicarboxylic acid
SYSTEMATIC NAME: 5,6-dimethyl-1,5-bis(oxidanyl)cyclohex-2-ene-1,4-dicarboxylic acid
MOLECULAR FORMULA: C10H14O6
MOLECULAR WEIGHT: 230.21456
SMILES: CC1C(C(C=CC1(C(=O)O)O)C(=O)O)(C)O
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Product OPENEYE NAME: 2,3-dimethoxy-5-methyl-benzene-1,4-dicarbonyl chloride
CAS Name: 2,3-dimethoxy-5-methylbenzene-1,4-dicarbonyl chloride
IUPAC NAME: 2,3-dimethoxy-5-methylbenzene-1,4-dicarbonyl chloride
SYSTEMATIC NAME: 2,3-dimethoxy-5-methyl-benzene-1,4-dicarbonyl chloride
MOLECULAR FORMULA: C11H10Cl2O4
MOLECULAR WEIGHT: 277.1007
SMILES: CC1=C(C(=C(C(=C1)C(=O)Cl)OC)OC)C(=O)Cl
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Product OPENEYE NAME: ammonia; benzene-1,2-diol
CAS Name: ammonia; benzene-1,2-diol
IUPAC NAME: azane; benzene-1,2-diol
SYSTEMATIC NAME: azane; benzene-1,2-diol
MOLECULAR FORMULA: C6H9NO2
MOLECULAR WEIGHT: 127.14116
SMILES: C1=CC=C(C(=C1)O)O.N
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Product OPENEYE NAME: 2,3-dimethoxyterephthalamide
CAS Name: 2,3-dimethoxybenzene-1,4-dicarboxamide
IUPAC NAME: 2,3-dimethoxybenzene-1,4-dicarboxamide
SYSTEMATIC NAME: 2,3-dimethoxybenzene-1,4-dicarboxamide
MOLECULAR FORMULA: C10H12N2O4
MOLECULAR WEIGHT: 224.21328
SMILES: COC1=C(C=CC(=C1OC)C(=O)N)C(=O)N
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Product OPENEYE NAME: barium(2+); 2,3,4,5,6-pentahydroxyhexanal
CAS Name: barium(2+); 2,3,4,5,6-pentahydroxyhexanal
IUPAC NAME: barium(2+); 2,3,4,5,6-pentahydroxyhexanal
SYSTEMATIC NAME: barium(2+); 2,3,4,5,6-pentakis(oxidanyl)hexanal
MOLECULAR FORMULA: C6H12BaO6+2
MOLECULAR WEIGHT: 317.48288
SMILES: C(C(C(C(C(C=O)O)O)O)O)O.[Ba+2]
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Product OPENEYE NAME: N-(cyclohexylmethyl)-1-isobutylsulfinyl-N-methyl-formamide
CAS Name: N-(cyclohexylmethyl)-N-methyl-1-(2-methylpropylsulfinyl)formamide
IUPAC NAME: N-(cyclohexylmethyl)-N-methyl-1-(2-methylpropylsulfinyl)formamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-N-methyl-1-(2-methylpropylsulfinyl)methanamide
MOLECULAR FORMULA: C13H25NO2S
MOLECULAR WEIGHT: 259.4081
SMILES: CC(C)CS(=O)C(=O)N(C)CC1CCCCC1
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Product OPENEYE NAME: 1-[(E)-2-ethoxyvinyl]sulfinyl-N,N-dipropyl-formamide
CAS Name: 1-[(E)-2-ethoxyethenyl]sulfinyl-N,N-dipropylformamide
IUPAC NAME: 1-[(E)-2-ethoxyethenyl]sulfinyl-N,N-dipropylformamide
SYSTEMATIC NAME: 1-[(E)-2-ethoxyethenyl]sulfinyl-N,N-dipropyl-methanamide
MOLECULAR FORMULA: C11H21NO3S
MOLECULAR WEIGHT: 247.35434
SMILES: CCCN(CCC)C(=O)S(=O)/C=C/OCC
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Product OPENEYE NAME: N-cyclohexyl-N-ethyl-1-ethylsulfinyl-formamide
CAS Name: N-cyclohexyl-N-ethyl-1-ethylsulfinylformamide
IUPAC NAME: N-cyclohexyl-N-ethyl-1-ethylsulfinylformamide
SYSTEMATIC NAME: N-cyclohexyl-N-ethyl-1-ethylsulfinyl-methanamide
MOLECULAR FORMULA: C11H21NO2S
MOLECULAR WEIGHT: 231.35494
SMILES: CCN(C1CCCCC1)C(=O)S(=O)CC
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