Product OPENEYE NAME: 1-chloro-4-[(1Z)-1-(chloromethylene)-2,2-dimethyl-propoxy]benzene
CAS Name: 1-chloro-4-[(Z)-1-chloro-3,3-dimethylbut-1-en-2-yl]oxybenzene
IUPAC NAME: 1-chloro-4-[(Z)-1-chloro-3,3-dimethylbut-1-en-2-yl]oxybenzene
SYSTEMATIC NAME: 1-chloranyl-4-[(Z)-1-chloranyl-3,3-dimethyl-but-1-en-2-yl]oxy-benzene
MOLECULAR FORMULA: C12H14Cl2O
MOLECULAR WEIGHT: 245.14496
SMILES: CC(C)(C)/C(=C/Cl)/OC1=CC=C(C=C1)Cl
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Product OPENEYE NAME: 3,4-dimethylbenzaldehyde; o-xylene
CAS Name: 3,4-dimethylbenzaldehyde; 1,2-xylene
IUPAC NAME: 3,4-dimethylbenzaldehyde; 1,2-xylene
SYSTEMATIC NAME: 3,4-dimethylbenzaldehyde; 1,2-dimethylbenzene
MOLECULAR FORMULA: C17H20O
MOLECULAR WEIGHT: 240.3401
SMILES: CC1=C(C=C(C=C1)C=O)C.CC1=CC=CC=C1C
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Product OPENEYE NAME: mesitylene; 2,4,6-trimethylbenzaldehyde
CAS Name: 2,4,6-trimethylbenzaldehyde; 1,3,5-trimethylbenzene
IUPAC NAME: 2,4,6-trimethylbenzaldehyde; 1,3,5-trimethylbenzene
SYSTEMATIC NAME: 2,4,6-trimethylbenzaldehyde; 1,3,5-trimethylbenzene
MOLECULAR FORMULA: C19H24O
MOLECULAR WEIGHT: 268.39326
SMILES: CC1=CC(=CC(=C1)C)C.CC1=CC(=C(C(=C1)C)C=O)C
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Product OPENEYE NAME: 2-butylbenzaldehyde; butylbenzene
CAS Name: 2-butylbenzaldehyde; butylbenzene
IUPAC NAME: 2-butylbenzaldehyde; butylbenzene
SYSTEMATIC NAME: 2-butylbenzaldehyde; butylbenzene
MOLECULAR FORMULA: C21H28O
MOLECULAR WEIGHT: 296.44642
SMILES: CCCCC1=CC=CC=C1.CCCCC1=CC=CC=C1C=O
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Product OPENEYE NAME: 4-ethylbenzaldehyde; ethylbenzene
CAS Name: 4-ethylbenzaldehyde; ethylbenzene
IUPAC NAME: 4-ethylbenzaldehyde; ethylbenzene
SYSTEMATIC NAME: 4-ethylbenzaldehyde; ethylbenzene
MOLECULAR FORMULA: C17H20O
MOLECULAR WEIGHT: 240.3401
SMILES: CCC1=CC=CC=C1.CCC1=CC=C(C=C1)C=O
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Product OPENEYE NAME: cumene; 4-isopropylbenzaldehyde
CAS Name: cumene; 4-propan-2-ylbenzaldehyde
IUPAC NAME: cumene; 4-propan-2-ylbenzaldehyde
SYSTEMATIC NAME: 4-propan-2-ylbenzaldehyde; propan-2-ylbenzene
MOLECULAR FORMULA: C19H24O
MOLECULAR WEIGHT: 268.39326
SMILES: CC(C)C1=CC=CC=C1.CC(C)C1=CC=C(C=C1)C=O
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Product OPENEYE NAME: 4-methylbenzaldehyde; toluene
CAS Name: 4-methylbenzaldehyde; toluene
IUPAC NAME: 4-methylbenzaldehyde; toluene
SYSTEMATIC NAME: 4-methylbenzaldehyde; methylbenzene
MOLECULAR FORMULA: C15H16O
MOLECULAR WEIGHT: 212.28694
SMILES: CC1=CC=CC=C1.CC1=CC=C(C=C1)C=O
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Product OPENEYE NAME: 2,4-dimethylbenzaldehyde; m-xylene
CAS Name: 2,4-dimethylbenzaldehyde; 1,3-xylene
IUPAC NAME: 2,4-dimethylbenzaldehyde; 1,3-xylene
SYSTEMATIC NAME: 2,4-dimethylbenzaldehyde; 1,3-dimethylbenzene
MOLECULAR FORMULA: C17H20O
MOLECULAR WEIGHT: 240.3401
SMILES: CC1=CC(=CC=C1)C.CC1=CC(=C(C=C1)C=O)C
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Product OPENEYE NAME: 3-[(E)-3-(3-hydroxyphenyl)-1,3-dimethyl-but-1-enyl]phenol
CAS Name: 3-[(E)-4-(3-hydroxyphenyl)-4-methylpent-2-en-2-yl]phenol
IUPAC NAME: 3-[(E)-4-(3-hydroxyphenyl)-4-methylpent-2-en-2-yl]phenol
SYSTEMATIC NAME: 3-[(E)-4-(3-hydroxyphenyl)-4-methyl-pent-2-en-2-yl]phenol
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: C/C(=C\C(C)(C)C1=CC(=CC=C1)O)/C2=CC(=CC=C2)O
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Product OPENEYE NAME: (6E,10E,14E,18E)-tetracosa-1,6,10,14,18,23-hexaen-3-ol
CAS Name: (6E,10E,14E,18E)-3-tetracosa-1,6,10,14,18,23-hexaenol
IUPAC NAME: (6E,10E,14E,18E)-tetracosa-1,6,10,14,18,23-hexaen-3-ol
SYSTEMATIC NAME: (6E,10E,14E,18E)-tetracosa-1,6,10,14,18,23-hexaen-3-ol
MOLECULAR FORMULA: C24H38O
MOLECULAR WEIGHT: 342.55792
SMILES: C=CCCC/C=C/CC/C=C/CC/C=C/CC/C=C/CCC(C=C)O
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Product OPENEYE NAME: (6E,10E)-hexadeca-1,6,10,15-tetraen-3-ol
CAS Name: (6E,10E)-3-hexadeca-1,6,10,15-tetraenol
IUPAC NAME: (6E,10E)-hexadeca-1,6,10,15-tetraen-3-ol
SYSTEMATIC NAME: (6E,10E)-hexadeca-1,6,10,15-tetraen-3-ol
MOLECULAR FORMULA: C16H26O
MOLECULAR WEIGHT: 234.37704
SMILES: C=CCCC/C=C/CC/C=C/CCC(C=C)O
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Product OPENEYE NAME: 2-hydroxy-3,5-bis(1,1,3,3-tetramethylbutyl)benzenesulfonic acid
CAS Name: 2-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid
IUPAC NAME: 2-hydroxy-3,5-bis(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid
SYSTEMATIC NAME: 2-oxidanyl-3,5-bis(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid
MOLECULAR FORMULA: C22H38O4S
MOLECULAR WEIGHT: 398.59972
SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)S(=O)(=O)O)O)C(C)(C)CC(C)(C)C
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Product OPENEYE NAME: 2-chloro-5-dodecanoyl-benzenesulfonic acid
CAS Name: 2-chloro-5-(1-oxododecyl)benzenesulfonic acid
IUPAC NAME: 2-chloro-5-dodecanoylbenzenesulfonic acid
SYSTEMATIC NAME: 2-chloranyl-5-dodecanoyl-benzenesulfonic acid
MOLECULAR FORMULA: C18H27ClO4S
MOLECULAR WEIGHT: 374.92258
SMILES: CCCCCCCCCCCC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)O
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Product OPENEYE NAME: 2-ethoxy-5-nonyl-benzenesulfonic acid
CAS Name: 2-ethoxy-5-nonylbenzenesulfonic acid
IUPAC NAME: 2-ethoxy-5-nonylbenzenesulfonic acid
SYSTEMATIC NAME: 2-ethoxy-5-nonyl-benzenesulfonic acid
MOLECULAR FORMULA: C17H28O4S
MOLECULAR WEIGHT: 328.46682
SMILES: CCCCCCCCCC1=CC(=C(C=C1)OCC)S(=O)(=O)O
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Product OPENEYE NAME: 2-[2,4-bis(1,1-dimethylhexyl)-6-sulfo-phenoxy]acetic acid
CAS Name: 2-[2,4-bis(2-methylheptan-2-yl)-6-sulfophenoxy]acetic acid
IUPAC NAME: 2-[2,4-bis(2-methylheptan-2-yl)-6-sulfophenoxy]acetic acid
SYSTEMATIC NAME: 2-[2,4-bis(2-methylheptan-2-yl)-6-sulfo-phenoxy]ethanoic acid
MOLECULAR FORMULA: C24H40O6S
MOLECULAR WEIGHT: 456.6358
SMILES: CCCCCC(C)(C)C1=CC(=C(C(=C1)S(=O)(=O)O)OCC(=O)O)C(C)(C)CCCCC
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Product OPENEYE NAME: 2,3-bis[(4-nitrophenyl)sulfonyl]naphthalene-1-sulfonic acid
CAS Name: 2,3-bis[(4-nitrophenyl)sulfonyl]-1-naphthalenesulfonic acid
IUPAC NAME: 2,3-bis[(4-nitrophenyl)sulfonyl]naphthalene-1-sulfonic acid
SYSTEMATIC NAME: 2,3-bis[(4-nitrophenyl)sulfonyl]naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C22H14N2O11S3
MOLECULAR WEIGHT: 578.54836
SMILES: C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[2-[1-hydroxyethyl(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
CAS Name: 1-[2-[1-hydroxyethyl(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]-2-propanol
IUPAC NAME: 1-[2-[1-hydroxyethyl(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol
SYSTEMATIC NAME: 1-[2-[1-hydroxyethyl(2-oxidanylpropyl)amino]ethyl-(2-oxidanylpropyl)amino]propan-2-ol
MOLECULAR FORMULA: C13H30N2O4
MOLECULAR WEIGHT: 278.3883
SMILES: CC(CN(CCN(CC(C)O)C(C)O)CC(C)O)O
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Product OPENEYE NAME: 1-hexadecylpyridin-1-ium; propanoate
CAS Name: 1-hexadecylpyridin-1-ium; propanoate
IUPAC NAME: 1-hexadecylpyridin-1-ium; propanoate
SYSTEMATIC NAME: 1-hexadecylpyridin-1-ium; propanoate
MOLECULAR FORMULA: C24H43NO2
MOLECULAR WEIGHT: 377.60372
SMILES: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCC(=O)[O-]
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Product OPENEYE NAME: 1-cyclooctylpyrrole
CAS Name: 1-cyclooctylpyrrole
IUPAC NAME: 1-cyclooctylpyrrole
SYSTEMATIC NAME: 1-cyclooctylpyrrole
MOLECULAR FORMULA: C12H19N
MOLECULAR WEIGHT: 177.28596
SMILES: C1CCCC(CCC1)N2C=CC=C2
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Product OPENEYE NAME: 1,1,2-triethoxy-2-phenoxy-undecane-1-sulfonate
CAS Name: 1,1,2-triethoxy-2-phenoxy-1-undecanesulfonate
IUPAC NAME: 1,1,2-triethoxy-2-phenoxyundecane-1-sulfonate
SYSTEMATIC NAME: 1,1,2-triethoxy-2-phenoxy-undecane-1-sulfonate
MOLECULAR FORMULA: C23H39O7S-
MOLECULAR WEIGHT: 459.61656
SMILES: CCCCCCCCCC(C(OCC)(OCC)S(=O)(=O)[O-])(OCC)OC1=CC=CC=C1
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