Product OPENEYE NAME: 4-chloro-2-methyl-phenol
CAS Name: 4-chloro-2-methylphenol
IUPAC NAME: 4-chloro-2-methylphenol
SYSTEMATIC NAME: 4-chloranyl-2-methyl-phenol
MOLECULAR FORMULA: C7H7ClO
MOLECULAR WEIGHT: 142.58288
SMILES: CC1=C(C=CC(=C1)Cl)O
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Product OPENEYE NAME: 3-chloro-2-methyl-phenol
CAS Name: 3-chloro-2-methylphenol
IUPAC NAME: 3-chloro-2-methylphenol
SYSTEMATIC NAME: 3-chloranyl-2-methyl-phenol
MOLECULAR FORMULA: C7H7ClO
MOLECULAR WEIGHT: 142.58288
SMILES: CC1=C(C=CC=C1Cl)O
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Product OPENEYE NAME: [hydroxy(phenyl)methyl]-oxido-oxo-phosphonium
CAS Name: [hydroxy(phenyl)methyl]-oxido-oxophosphonium
IUPAC NAME: [hydroxy(phenyl)methyl]-oxido-oxophosphanium
SYSTEMATIC NAME: oxidanidyl-oxidanylidene-[oxidanyl(phenyl)methyl]phosphanium
MOLECULAR FORMULA: C7H7O3P
MOLECULAR WEIGHT: 170.102441
SMILES: C1=CC=C(C=C1)C(O)[P+](=O)[O-]
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Product OPENEYE NAME: hydroxy-[hydroxy(phenyl)methyl]-oxo-phosphonium
CAS Name: hydroxy-[hydroxy(phenyl)methyl]-oxophosphonium
IUPAC NAME: hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
SYSTEMATIC NAME: oxidanyl-oxidanylidene-[oxidanyl(phenyl)methyl]phosphanium
MOLECULAR FORMULA: C7H8O3P+
MOLECULAR WEIGHT: 171.110381
SMILES: C1=CC=C(C=C1)C(O)[P+](=O)O
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Product OPENEYE NAME: 2-ethylhexane-1,6-diol
CAS Name: 2-ethylhexane-1,6-diol
IUPAC NAME: 2-ethylhexane-1,6-diol
SYSTEMATIC NAME: 2-ethylhexane-1,6-diol
MOLECULAR FORMULA: C8H18O2
MOLECULAR WEIGHT: 146.22732
SMILES: CCC(CCCCO)CO
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Product OPENEYE NAME: 6-methoxyquinoline
CAS Name: 6-methoxyquinoline
IUPAC NAME: 6-methoxyquinoline
SYSTEMATIC NAME: 6-methoxyquinoline
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: COC1=CC2=C(C=C1)N=CC=C2
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Product OPENEYE NAME: 5,6-dimethyloct-7-yne-2,3-diol
CAS Name: 5,6-dimethyl-7-octyne-2,3-diol
IUPAC NAME: 5,6-dimethyloct-7-yne-2,3-diol
SYSTEMATIC NAME: 5,6-dimethyloct-7-yne-2,3-diol
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CC(CC(C(C)O)O)C(C)C#C
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Product OPENEYE NAME: 8-methylnonanal
CAS Name: 8-methylnonanal
IUPAC NAME: 8-methylnonanal
SYSTEMATIC NAME: 8-methylnonanal
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CC(C)CCCCCCC=O
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Product OPENEYE NAME: 4-(o-tolyl)butan-1-ol
CAS Name: 4-(2-methylphenyl)-1-butanol
IUPAC NAME: 4-(2-methylphenyl)butan-1-ol
SYSTEMATIC NAME: 4-(2-methylphenyl)butan-1-ol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CC1=CC=CC=C1CCCCO
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Product OPENEYE NAME: ethyl oct-1-ynyl carbonate
CAS Name: carbonic acid ethyl oct-1-ynyl ester
IUPAC NAME: ethyl oct-1-ynyl carbonate
SYSTEMATIC NAME: ethyl oct-1-ynyl carbonate
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: CCCCCCC#COC(=O)OCC
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Product OPENEYE NAME: calcium undec-10-enoate
CAS Name: calcium 10-undecenoate
IUPAC NAME: calcium undec-10-enoate
SYSTEMATIC NAME: calcium undec-10-enoate
MOLECULAR FORMULA: C22H38CaO4
MOLECULAR WEIGHT: 406.61272
SMILES: C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Ca+2]
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Product OPENEYE NAME: 2-butoxyethyl pyridine-3-carboxylate
CAS Name: 3-pyridinecarboxylic acid 2-butoxyethyl ester
IUPAC NAME: 2-butoxyethyl pyridine-3-carboxylate
SYSTEMATIC NAME: 2-butoxyethyl pyridine-3-carboxylate
MOLECULAR FORMULA: C12H17NO3
MOLECULAR WEIGHT: 223.26828
SMILES: CCCCOCCOC(=O)C1=CN=CC=C1
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Product OPENEYE NAME: 2-methyl-3-(2-methylbutyl)phenol
CAS Name: 2-methyl-3-(2-methylbutyl)phenol
IUPAC NAME: 2-methyl-3-(2-methylbutyl)phenol
SYSTEMATIC NAME: 2-methyl-3-(2-methylbutyl)phenol
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CCC(C)CC1=C(C(=CC=C1)O)C
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Product OPENEYE NAME: 3,5-dibromo-N-(4-bromophenyl)-2-hydroxy-benzamide
CAS Name: 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide
IUPAC NAME: 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide
SYSTEMATIC NAME: 3,5-bis(bromanyl)-N-(4-bromophenyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C13H8Br3NO2
MOLECULAR WEIGHT: 449.92012
SMILES: C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2O)Br)Br)Br
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Product OPENEYE NAME: 5-chloro-2-hydroxy-N-phenyl-benzamide
CAS Name: 5-chloro-2-hydroxy-N-phenylbenzamide
IUPAC NAME: 5-chloro-2-hydroxy-N-phenylbenzamide
SYSTEMATIC NAME: 5-chloranyl-2-oxidanyl-N-phenyl-benzamide
MOLECULAR FORMULA: C13H10ClNO2
MOLECULAR WEIGHT: 247.677
SMILES: C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)O
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Product OPENEYE NAME: 2-hydroxypropyl dodecanoate
CAS Name: dodecanoic acid 2-hydroxypropyl ester
IUPAC NAME: 2-hydroxypropyl dodecanoate
SYSTEMATIC NAME: 2-oxidanylpropyl dodecanoate
MOLECULAR FORMULA: C15H30O3
MOLECULAR WEIGHT: 258.3969
SMILES: CCCCCCCCCCCC(=O)OCC(C)O
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Product OPENEYE NAME: 2,3-dihydroxypropyl dodecanoate
CAS Name: dodecanoic acid 2,3-dihydroxypropyl ester
IUPAC NAME: 2,3-dihydroxypropyl dodecanoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl dodecanoate
MOLECULAR FORMULA: C15H30O4
MOLECULAR WEIGHT: 274.3963
SMILES: CCCCCCCCCCCC(=O)OCC(CO)O
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Product OPENEYE NAME: 4,7-diisopropylnaphthalene-2-sulfonic acid
CAS Name: 4,7-di(propan-2-yl)-2-naphthalenesulfonic acid
IUPAC NAME: 4,7-di(propan-2-yl)naphthalene-2-sulfonic acid
SYSTEMATIC NAME: 4,7-di(propan-2-yl)naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C16H20O3S
MOLECULAR WEIGHT: 292.3932
SMILES: CC(C)C1=CC2=CC(=CC(=C2C=C1)C(C)C)S(=O)(=O)O
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Product OPENEYE NAME: 2-phenoxydecan-1-ol
CAS Name: 2-phenoxy-1-decanol
IUPAC NAME: 2-phenoxydecan-1-ol
SYSTEMATIC NAME: 2-phenoxydecan-1-ol
MOLECULAR FORMULA: C16H26O2
MOLECULAR WEIGHT: 250.37644
SMILES: CCCCCCCCC(CO)OC1=CC=CC=C1
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Product OPENEYE NAME: 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol; 6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
CAS Name: 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-1-ol; 6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-1-ol
IUPAC NAME: 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol; 6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
SYSTEMATIC NAME: 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol; 6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
MOLECULAR FORMULA: C42H60O4
MOLECULAR WEIGHT: 628.9234
SMILES: CCCCCC1=CC2=C(C3CC(=CCC3C(O2)(C)C)C)C(=C1)O.CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O
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