Product OPENEYE NAME: (3-chloro-4-methyl-2-oxo-chromen-7-yl) bis(3-chloropropyl) phosphate
CAS Name: phosphoric acid (3-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) bis(3-chloropropyl) ester
IUPAC NAME: (3-chloro-4-methyl-2-oxochromen-7-yl) bis(3-chloropropyl) phosphate
SYSTEMATIC NAME: (3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) bis(3-chloranylpropyl) phosphate
MOLECULAR FORMULA: C16H18Cl3O6P
MOLECULAR WEIGHT: 443.643281
SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(OCCCCl)OCCCCl)Cl
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MOLECULAR FORMULA: C23H30Cl2N2
MOLECULAR WEIGHT: 405.4037
SMILES: C[NH+]1CC[NH+](CC1)CCC=C2C3=CC=CC=C3CCC4=CC=CC=C42.[Cl-].[Cl-]
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MOLECULAR FORMULA: C23H28N2
MOLECULAR WEIGHT: 332.48182
SMILES: CN1CCN(CC1)CCC=C2C3=CC=CC=C3CCC4=CC=CC=C42
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Product OPENEYE NAME: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; zinc
CAS Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; zinc
IUPAC NAME: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; zinc
SYSTEMATIC NAME: (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid; zinc
MOLECULAR FORMULA: C12H24O14Zn
MOLECULAR WEIGHT: 457.71956
SMILES: C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O.[Zn]
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Product OPENEYE NAME: 2-acetylsulfanylethyl(trimethyl)ammonium
CAS Name: 2-(acetylthio)ethyl-trimethylammonium
IUPAC NAME: 2-acetylsulfanylethyl(trimethyl)azanium
SYSTEMATIC NAME: 2-ethanoylsulfanylethyl(trimethyl)azanium
MOLECULAR FORMULA: C7H16NOS+
MOLECULAR WEIGHT: 162.27304
SMILES: CC(=O)SCC[N+](C)(C)C
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Product OPENEYE NAME: 1-[1-ethyl-2-[(4-methoxyphenyl)methyl]butyl]-4-methoxy-benzene
CAS Name: 1-[2-ethyl-3-(4-methoxyphenyl)pentyl]-4-methoxybenzene
IUPAC NAME: 1-[2-ethyl-3-(4-methoxyphenyl)pentyl]-4-methoxybenzene
SYSTEMATIC NAME: 1-[2-ethyl-3-(4-methoxyphenyl)pentyl]-4-methoxy-benzene
MOLECULAR FORMULA: C21H28O2
MOLECULAR WEIGHT: 312.44582
SMILES: CCC(CC1=CC=C(C=C1)OC)C(CC)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: 1-ethylbutylbenzene
CAS Name: hexan-3-ylbenzene
IUPAC NAME: hexan-3-ylbenzene
SYSTEMATIC NAME: hexan-3-ylbenzene
MOLECULAR FORMULA: C12H18
MOLECULAR WEIGHT: 162.27132
SMILES: CCCC(CC)C1=CC=CC=C1
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Product OPENEYE NAME: 3-oxo-2-phenyl-butanenitrile
CAS Name: 3-oxo-2-phenylbutanenitrile
IUPAC NAME: 3-oxo-2-phenylbutanenitrile
SYSTEMATIC NAME: 3-oxidanylidene-2-phenyl-butanenitrile
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: CC(=O)C(C#N)C1=CC=CC=C1
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Product OPENEYE NAME: 2-(2-ethylbutoxy)ethanol
CAS Name: 2-(2-ethylbutoxy)ethanol
IUPAC NAME: 2-(2-ethylbutoxy)ethanol
SYSTEMATIC NAME: 2-(2-ethylbutoxy)ethanol
MOLECULAR FORMULA: C8H18O2
MOLECULAR WEIGHT: 146.22732
SMILES: CCC(CC)COCCO
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Product OPENEYE NAME: 1,4-bis(2-hydroxyethylamino)anthracene-9,10-dione
CAS Name: 1,4-bis(2-hydroxyethylamino)anthracene-9,10-dione
IUPAC NAME: 1,4-bis(2-hydroxyethylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis(2-hydroxyethylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C18H18N2O4
MOLECULAR WEIGHT: 326.34652
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCO)NCCO
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Product OPENEYE NAME: 2-chloro-4,6-dimethyl-pyrimidine
CAS Name: 2-chloro-4,6-dimethylpyrimidine
IUPAC NAME: 2-chloro-4,6-dimethylpyrimidine
SYSTEMATIC NAME: 2-chloranyl-4,6-dimethyl-pyrimidine
MOLECULAR FORMULA: C6H7ClN2
MOLECULAR WEIGHT: 142.58618
SMILES: CC1=CC(=NC(=N1)Cl)C
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Product OPENEYE NAME: disodium 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonato-anilino)-1-anthryl]amino]-2,4,6-trimethyl-benzenesulfonate
CAS Name: disodium 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)-1-anthracenyl]amino]-2,4,6-trimethylbenzenesulfonate
IUPAC NAME: disodium 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfonatoanilino)anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonate
SYSTEMATIC NAME: disodium 3-[[9,10-bis(oxidanylidene)-4-[(2,4,6-trimethyl-3-sulfonato-phenyl)amino]anthracen-1-yl]amino]-2,4,6-trimethyl-benzenesulfonate
MOLECULAR FORMULA: C32H28N2Na2O8S2
MOLECULAR WEIGHT: 678.68286
SMILES: CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)[O-])C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)[O-])C.[Na+].[Na+]
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Product OPENEYE NAME: 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfo-anilino)-1-anthryl]amino]-2,4,6-trimethyl-benzenesulfonic acid
CAS Name: 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfoanilino)-1-anthracenyl]amino]-2,4,6-trimethylbenzenesulfonic acid
IUPAC NAME: 3-[[9,10-dioxo-4-(2,4,6-trimethyl-3-sulfoanilino)anthracen-1-yl]amino]-2,4,6-trimethylbenzenesulfonic acid
SYSTEMATIC NAME: 3-[[9,10-bis(oxidanylidene)-4-[(2,4,6-trimethyl-3-sulfo-phenyl)amino]anthracen-1-yl]amino]-2,4,6-trimethyl-benzenesulfonic acid
MOLECULAR FORMULA: C32H30N2O8S2
MOLECULAR WEIGHT: 634.7192
SMILES: CC1=CC(=C(C(=C1NC2=C3C(=C(C=C2)NC4=C(C(=C(C=C4C)C)S(=O)(=O)O)C)C(=O)C5=CC=CC=C5C3=O)C)S(=O)(=O)O)C
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Product OPENEYE NAME: 2-hydroxybutanenitrile
CAS Name: 2-hydroxybutanenitrile
IUPAC NAME: 2-hydroxybutanenitrile
SYSTEMATIC NAME: 2-oxidanylbutanenitrile
MOLECULAR FORMULA: C4H7NO
MOLECULAR WEIGHT: 85.10448
SMILES: CCC(C#N)O
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Product OPENEYE NAME: 1-phenyl-4-(1-piperidyl)butan-1-one
CAS Name: 1-phenyl-4-(1-piperidinyl)-1-butanone
IUPAC NAME: 1-phenyl-4-piperidin-1-ylbutan-1-one
SYSTEMATIC NAME: 1-phenyl-4-piperidin-1-yl-butan-1-one
MOLECULAR FORMULA: C15H21NO
MOLECULAR WEIGHT: 231.33334
SMILES: C1CCN(CC1)CCCC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 2-bromo-1-isopropyl-4-methyl-benzene
CAS Name: 2-bromo-4-methyl-1-propan-2-ylbenzene
IUPAC NAME: 2-bromo-4-methyl-1-propan-2-ylbenzene
SYSTEMATIC NAME: 2-bromanyl-4-methyl-1-propan-2-yl-benzene
MOLECULAR FORMULA: C10H13Br
MOLECULAR WEIGHT: 213.11422
SMILES: CC1=CC(=C(C=C1)C(C)C)Br
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Product OPENEYE NAME: 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one chloride
CAS Name: 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one chloride
IUPAC NAME: 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one chloride
SYSTEMATIC NAME: 3,7-bis(3-oxidanylpropyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one chloride
MOLECULAR FORMULA: C25H32ClN2O3-
MOLECULAR WEIGHT: 443.98618
SMILES: C1C2(CN(CC(C2=O)(CN1CCCO)C3=CC=CC=C3)CCCO)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CAS Name: 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
IUPAC NAME: 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
SYSTEMATIC NAME: 3,7-bis(3-oxidanylpropyl)-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one
MOLECULAR FORMULA: C25H32N2O3
MOLECULAR WEIGHT: 408.53318
SMILES: C1C2(CN(CC(C2=O)(CN1CCCO)C3=CC=CC=C3)CCCO)C4=CC=CC=C4
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