Product OPENEYE NAME: 2-cyclohexa-1,5-dien-1-ylsulfonylethylphosphonic acid
CAS Name: 2-(1-cyclohexa-1,5-dienylsulfonyl)ethylphosphonic acid
IUPAC NAME: 2-cyclohexa-1,5-dien-1-ylsulfonylethylphosphonic acid
SYSTEMATIC NAME: 2-cyclohexa-1,5-dien-1-ylsulfonylethylphosphonic acid
MOLECULAR FORMULA: C8H13O5PS
MOLECULAR WEIGHT: 252.224581
SMILES: C1CC=C(C=C1)S(=O)(=O)CCP(=O)(O)O
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Product OPENEYE NAME: acetyl 4-[methyl(2-phenothiazin-10-ylethyl)amino]butanoate
CAS Name: 4-[methyl-[2-(10-phenothiazinyl)ethyl]amino]butanoic acid acetyl ester
IUPAC NAME: acetyl 4-[methyl(2-phenothiazin-10-ylethyl)amino]butanoate
SYSTEMATIC NAME: ethanoyl 4-[methyl(2-phenothiazin-10-ylethyl)amino]butanoate
MOLECULAR FORMULA: C21H24N2O3S
MOLECULAR WEIGHT: 384.49186
SMILES: CC(=O)OC(=O)CCCN(C)CCN1C2=CC=CC=C2SC3=CC=CC=C31
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Product OPENEYE NAME: O3-ethyl O5-methyl 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-3,5-dicarboxylate
CAS Name: 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-[4-(10-phenothiazinyl)butyl]pyridin-1-ium-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester
IUPAC NAME: 3-O-ethyl 5-O-methyl 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-3,5-dicarboxylate
SYSTEMATIC NAME: O3-ethyl O5-methyl 4-azanyl-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(4-phenothiazin-10-ylbutyl)pyridin-1-ium-3,5-dicarboxylate
MOLECULAR FORMULA: C35H39N4O6S+
MOLECULAR WEIGHT: 643.77236
SMILES: CCOC(=O)C1=C([N+](C(=C(C1(C2=CC(=CC=C2)[N+](=O)[O-])N)C(=O)OC)C)(C)CCCCN3C4=CC=CC=C4SC5=CC=CC=C53)C
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Product OPENEYE NAME: acetyl 4-[methyl(4-phenothiazin-10-ylbutyl)amino]butanoate
CAS Name: 4-[methyl-[4-(10-phenothiazinyl)butyl]amino]butanoic acid acetyl ester
IUPAC NAME: acetyl 4-[methyl(4-phenothiazin-10-ylbutyl)amino]butanoate
SYSTEMATIC NAME: ethanoyl 4-[methyl(4-phenothiazin-10-ylbutyl)amino]butanoate
MOLECULAR FORMULA: C23H28N2O3S
MOLECULAR WEIGHT: 412.54502
SMILES: CC(=O)OC(=O)CCCN(C)CCCCN1C2=CC=CC=C2SC3=CC=CC=C31
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Product OPENEYE NAME: ethyl 3-oxobutanoate; N-methyl-N',N'-diphenyl-ethane-1,2-diamine
CAS Name: N-methyl-N',N'-diphenylethane-1,2-diamine; 3-oxobutanoic acid ethyl ester
IUPAC NAME: ethyl 3-oxobutanoate; N-methyl-N',N'-diphenylethane-1,2-diamine
SYSTEMATIC NAME: ethyl 3-oxidanylidenebutanoate; N-methyl-N',N'-diphenyl-ethane-1,2-diamine
MOLECULAR FORMULA: C21H28N2O3
MOLECULAR WEIGHT: 356.45862
SMILES: CCOC(=O)CC(=O)C.CNCCN(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: N-methyl-N',N'-diphenyl-ethane-1,2-diamine
CAS Name: N-methyl-N',N'-diphenylethane-1,2-diamine
IUPAC NAME: N-methyl-N',N'-diphenylethane-1,2-diamine
SYSTEMATIC NAME: N-methyl-N',N'-diphenyl-ethane-1,2-diamine
MOLECULAR FORMULA: C15H18N2
MOLECULAR WEIGHT: 226.31682
SMILES: CNCCN(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: O3-ethyl O5-methyl 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(2-phenothiazin-10-ylethyl)pyridin-1-ium-3,5-dicarboxylate
CAS Name: 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-[2-(10-phenothiazinyl)ethyl]pyridin-1-ium-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester
IUPAC NAME: 3-O-ethyl 5-O-methyl 4-amino-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(2-phenothiazin-10-ylethyl)pyridin-1-ium-3,5-dicarboxylate
SYSTEMATIC NAME: O3-ethyl O5-methyl 4-azanyl-1,2,6-trimethyl-4-(3-nitrophenyl)-1-(2-phenothiazin-10-ylethyl)pyridin-1-ium-3,5-dicarboxylate
MOLECULAR FORMULA: C33H35N4O6S+
MOLECULAR WEIGHT: 615.7192
SMILES: CCOC(=O)C1=C([N+](C(=C(C1(C2=CC(=CC=C2)[N+](=O)[O-])N)C(=O)OC)C)(C)CCN3C4=CC=CC=C4SC5=CC=CC=C53)C
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Product OPENEYE NAME: zinc 3-octylphenol
CAS Name: zinc 3-octylphenol
IUPAC NAME: zinc 3-octylphenol
SYSTEMATIC NAME: zinc 3-octylphenol
MOLECULAR FORMULA: C14H22OZn+2
MOLECULAR WEIGHT: 271.73288
SMILES: CCCCCCCCC1=CC(=CC=C1)O.[Zn+2]
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Product OPENEYE NAME: ammonium trimethyl(octadecyl)ammonium bromide chloride
CAS Name: ammonium trimethyl(octadecyl)ammonium bromide chloride
IUPAC NAME: azanium trimethyl(octadecyl)azanium bromide chloride
SYSTEMATIC NAME: azanium trimethyl(octadecyl)azanium bromide chloride
MOLECULAR FORMULA: C21H50BrClN2
MOLECULAR WEIGHT: 445.9921
SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[NH4+].[Cl-].[Br-]
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Product OPENEYE NAME: 2-hydroxy-1,3,2-dioxazepane-4,7-dione
CAS Name: 2-hydroxy-1,3,2-dioxazepane-4,7-dione
IUPAC NAME: 2-hydroxy-1,3,2-dioxazepane-4,7-dione
SYSTEMATIC NAME: 2-oxidanyl-1,3,2-dioxazepane-4,7-dione
MOLECULAR FORMULA: C4H5NO5
MOLECULAR WEIGHT: 147.0862
SMILES: C1CC(=O)ON(OC1=O)O
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Product OPENEYE NAME: 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1,2,4-triazole
CAS Name: 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1,2,4-triazole
IUPAC NAME: 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1,2,4-triazole
SYSTEMATIC NAME: 1-[(3,5-dimethylphenyl)methylsulfonyl]-3-nitro-1,2,4-triazole
MOLECULAR FORMULA: C11H12N4O4S
MOLECULAR WEIGHT: 296.30238
SMILES: CC1=CC(=CC(=C1)CS(=O)(=O)N2C=NC(=N2)[N+](=O)[O-])C
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Product OPENEYE NAME: benzhydryl 2-(3,4-diacetoxyanilino)oxyacetate
CAS Name: 2-(3,4-diacetyloxyanilino)oxyacetic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 2-(3,4-diacetyloxyanilino)oxyacetate
SYSTEMATIC NAME: (diphenylmethyl) 2-[(3,4-diacetyloxyphenyl)amino]oxyethanoate
MOLECULAR FORMULA: C25H23NO7
MOLECULAR WEIGHT: 449.45262
SMILES: CC(=O)OC1=C(C=C(C=C1)NOCC(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C
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Product OPENEYE NAME: 3-(carbamoyloxymethyl)-7-[carboxy-[(E)-2-(3,4-dioxocyclohexa-1,5-dien-1-yl)-1-hydroxy-2-(methoxyamino)vinyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-(carbamoyloxymethyl)-7-[carboxy-[(E)-2-(3,4-dioxo-1-cyclohexa-1,5-dienyl)-1-hydroxy-2-(methoxyamino)ethenyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-(carbamoyloxymethyl)-7-[carboxy-[(E)-2-(3,4-dioxocyclohexa-1,5-dien-1-yl)-1-hydroxy-2-(methoxyamino)ethenyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(aminocarbonyloxymethyl)-7-[[(E)-2-[3,4-bis(oxidanylidene)cyclohexa-1,5-dien-1-yl]-2-(methoxyamino)-1-oxidanyl-ethenyl]-carboxy-amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C19H18N4O11S
MOLECULAR WEIGHT: 510.43142
SMILES: CON/C(=C(\N(C1C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)C(=O)O)/O)/C3=CC(=O)C(=O)C=C3
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