Product OPENEYE NAME: 3-[(E)-2-acetamidovinyl]sulfanyl-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Name: 3-[[(E)-2-acetamidoethenyl]thio]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC NAME: 3-[(E)-2-acetamidoethenyl]sulfanyl-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-[(E)-2-acetamidoethenyl]sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C13H15N2O5S-
MOLECULAR WEIGHT: 311.3336
SMILES: CC(C1C2CC(=C(N2C1=O)C(=O)[O-])S/C=C/NC(=O)C)O
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Product OPENEYE NAME: [3-[(E)-2-acetamido-1-bromo-vinyl]sulfanyl-6-benzyl-hexadecyl]-dimethyl-ammonium
CAS Name: [3-[[(E)-2-acetamido-1-bromoethenyl]thio]-6-(phenylmethyl)hexadecyl]-dimethylammonium
IUPAC NAME: [3-[(E)-2-acetamido-1-bromoethenyl]sulfanyl-6-benzylhexadecyl]-dimethylazanium
SYSTEMATIC NAME: [3-[(E)-2-acetamido-1-bromanyl-ethenyl]sulfanyl-6-(phenylmethyl)hexadecyl]-dimethyl-azanium
MOLECULAR FORMULA: C29H50BrN2OS+
MOLECULAR WEIGHT: 554.6891
SMILES: CCCCCCCCCCC(CCC(CC[NH+](C)C)S/C(=C\NC(=O)C)/Br)CC1=CC=CC=C1
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Product OPENEYE NAME: N-[(E)-2-[4-benzyl-1-[2-(dimethylamino)ethyl]tetradecyl]sulfanyl-2-bromo-vinyl]acetamide
CAS Name: N-[(E)-2-bromo-2-[[1-(dimethylamino)-6-(phenylmethyl)hexadecan-3-yl]thio]ethenyl]acetamide
IUPAC NAME: N-[(E)-2-[6-benzyl-1-(dimethylamino)hexadecan-3-yl]sulfanyl-2-bromoethenyl]acetamide
SYSTEMATIC NAME: N-[(E)-2-bromanyl-2-[1-(dimethylamino)-6-(phenylmethyl)hexadecan-3-yl]sulfanyl-ethenyl]ethanamide
MOLECULAR FORMULA: C29H49BrN2OS
MOLECULAR WEIGHT: 553.68116
SMILES: CCCCCCCCCCC(CCC(CCN(C)C)S/C(=C\NC(=O)C)/Br)CC1=CC=CC=C1
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Product OPENEYE NAME: 3-[(Z)-2-acetamido-1-chloro-vinyl]sulfanyl-6-(1-ethoxysulfonyloxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Name: 3-[[(Z)-2-acetamido-1-chloroethenyl]thio]-6-(1-ethoxysulfonyloxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC NAME: 3-[(Z)-2-acetamido-1-chloroethenyl]sulfanyl-6-(1-ethoxysulfonyloxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-[(Z)-2-acetamido-1-chloranyl-ethenyl]sulfanyl-6-(1-ethoxysulfonyloxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C15H18ClN2O8S2-
MOLECULAR WEIGHT: 453.89502
SMILES: CCOS(=O)(=O)OC(C)C1C2CC(=C(N2C1=O)C(=O)[O-])S/C(=C/NC(=O)C)/Cl
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Product OPENEYE NAME: 3-[(Z)-2-acetamido-1-chloro-vinyl]sulfanyl-6-(1-ethoxysulfonyloxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS Name: 3-[[(Z)-2-acetamido-1-chloroethenyl]thio]-6-(1-ethoxysulfonyloxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC NAME: 3-[(Z)-2-acetamido-1-chloroethenyl]sulfanyl-6-(1-ethoxysulfonyloxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(Z)-2-acetamido-1-chloranyl-ethenyl]sulfanyl-6-(1-ethoxysulfonyloxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H19ClN2O8S2
MOLECULAR WEIGHT: 454.90296
SMILES: CCOS(=O)(=O)OC(C)C1C2CC(=C(N2C1=O)C(=O)O)S/C(=C/NC(=O)C)/Cl
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Product OPENEYE NAME: 3-[(Z)-2-acetamido-1-bromo-vinyl]sulfanyl-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Name: 3-[[(Z)-2-acetamido-1-bromoethenyl]thio]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC NAME: 3-[(Z)-2-acetamido-1-bromoethenyl]sulfanyl-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-[(Z)-2-acetamido-1-bromanyl-ethenyl]sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C13H14BrN2O5S-
MOLECULAR WEIGHT: 390.22966
SMILES: CC(C1C2CC(=C(N2C1=O)C(=O)[O-])S/C(=C/NC(=O)C)/Br)O
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Product OPENEYE NAME: 3-[(Z)-2-acetamido-1-bromo-vinyl]sulfanyl-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS Name: 3-[[(Z)-2-acetamido-1-bromoethenyl]thio]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC NAME: 3-[(Z)-2-acetamido-1-bromoethenyl]sulfanyl-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(Z)-2-acetamido-1-bromanyl-ethenyl]sulfanyl-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C13H15BrN2O5S
MOLECULAR WEIGHT: 391.2376
SMILES: CC(C1C2CC(=C(N2C1=O)C(=O)O)S/C(=C/NC(=O)C)/Br)O
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Product OPENEYE NAME: 3-[(Z)-2-acetamido-1-chloro-vinyl]sulfanyl-6-(1-ethoxy-1-sulfonatooxy-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Name: 3-[[(Z)-2-acetamido-1-chloroethenyl]thio]-6-(1-ethoxy-1-sulfonatooxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC NAME: 3-[(Z)-2-acetamido-1-chloroethenyl]sulfanyl-6-(1-ethoxy-1-sulfonatooxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-[(Z)-2-acetamido-1-chloranyl-ethenyl]sulfanyl-6-(1-ethoxy-1-sulfonatooxy-ethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C15H17ClN2O9S2-2
MOLECULAR WEIGHT: 468.88648
SMILES: CCOC(C)(C1C2CC(=C(N2C1=O)C(=O)[O-])S/C(=C/NC(=O)C)/Cl)OS(=O)(=O)[O-]
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Product OPENEYE NAME: 3-[(Z)-2-acetamido-1-chloro-vinyl]sulfanyl-6-(1-ethoxy-1-sulfooxy-ethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS Name: 3-[[(Z)-2-acetamido-1-chloroethenyl]thio]-6-(1-ethoxy-1-sulfooxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC NAME: 3-[(Z)-2-acetamido-1-chloroethenyl]sulfanyl-6-(1-ethoxy-1-sulfooxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(Z)-2-acetamido-1-chloranyl-ethenyl]sulfanyl-6-(1-ethoxy-1-sulfooxy-ethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C15H19ClN2O9S2
MOLECULAR WEIGHT: 470.90236
SMILES: CCOC(C)(C1C2CC(=C(N2C1=O)C(=O)O)S/C(=C/NC(=O)C)/Cl)OS(=O)(=O)O
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Product OPENEYE NAME: 1,5-dichloro-2,3,4-trimethyl-pentane
CAS Name: 1,5-dichloro-2,3,4-trimethylpentane
IUPAC NAME: 1,5-dichloro-2,3,4-trimethylpentane
SYSTEMATIC NAME: 1,5-bis(chloranyl)-2,3,4-trimethyl-pentane
MOLECULAR FORMULA: C8H16Cl2
MOLECULAR WEIGHT: 183.11864
SMILES: CC(CCl)C(C)C(C)CCl
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Product OPENEYE NAME: ethyl 2-[chlorosulfonyl-(2-ethoxy-1-methyl-2-oxo-ethyl)amino]propanoate
CAS Name: 2-[chlorosulfonyl-(1-ethoxy-1-oxopropan-2-yl)amino]propanoic acid ethyl ester
IUPAC NAME: ethyl 2-[chlorosulfonyl-(1-ethoxy-1-oxopropan-2-yl)amino]propanoate
SYSTEMATIC NAME: ethyl 2-[chloranylsulfonyl-(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]propanoate
MOLECULAR FORMULA: C10H18ClNO6S
MOLECULAR WEIGHT: 315.77102
SMILES: CCOC(=O)C(C)N(C(C)C(=O)OCC)S(=O)(=O)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H12F4IO+
MOLECULAR WEIGHT: 387.131863
SMILES: COC1=CC=C(C=C1)[I+](C2=CC=CC=C2)(F)(F)(F)F
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Product OPENEYE NAME: (2-methoxy-4-methyl-phenyl) 4-hydroxybenzoate
CAS Name: 4-hydroxybenzoic acid (2-methoxy-4-methylphenyl) ester
IUPAC NAME: (2-methoxy-4-methylphenyl) 4-hydroxybenzoate
SYSTEMATIC NAME: (2-methoxy-4-methyl-phenyl) 4-oxidanylbenzoate
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)O)OC
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Product OPENEYE NAME: o-tolyl 3,5-dibromo-2-hydroxy-benzoate
CAS Name: 3,5-dibromo-2-hydroxybenzoic acid (2-methylphenyl) ester
IUPAC NAME: (2-methylphenyl) 3,5-dibromo-2-hydroxybenzoate
SYSTEMATIC NAME: (2-methylphenyl) 3,5-bis(bromanyl)-2-oxidanyl-benzoate
MOLECULAR FORMULA: C14H10Br2O3
MOLECULAR WEIGHT: 386.0354
SMILES: CC1=CC=CC=C1OC(=O)C2=CC(=CC(=C2O)Br)Br
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Product OPENEYE NAME: o-tolyl 5-bromo-2-hydroxy-benzoate
CAS Name: 5-bromo-2-hydroxybenzoic acid (2-methylphenyl) ester
IUPAC NAME: (2-methylphenyl) 5-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: (2-methylphenyl) 5-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C14H11BrO3
MOLECULAR WEIGHT: 307.13934
SMILES: CC1=CC=CC=C1OC(=O)C2=C(C=CC(=C2)Br)O
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Product OPENEYE NAME: (4-nitrophenyl) 5-bromo-2-hydroxy-benzoate
CAS Name: 5-bromo-2-hydroxybenzoic acid (4-nitrophenyl) ester
IUPAC NAME: (4-nitrophenyl) 5-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: (4-nitrophenyl) 5-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C13H8BrNO5
MOLECULAR WEIGHT: 338.11032
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)Br)O
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Product OPENEYE NAME: (3-hydroxyphenyl) 4-nitrobenzoate
CAS Name: 4-nitrobenzoic acid (3-hydroxyphenyl) ester
IUPAC NAME: (3-hydroxyphenyl) 4-nitrobenzoate
SYSTEMATIC NAME: (3-hydroxyphenyl) 4-nitrobenzoate
MOLECULAR FORMULA: C13H9NO5
MOLECULAR WEIGHT: 259.21426
SMILES: C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O
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Product OPENEYE NAME: (3-nitrophenyl) 5-bromo-2-hydroxy-benzoate
CAS Name: 5-bromo-2-hydroxybenzoic acid (3-nitrophenyl) ester
IUPAC NAME: (3-nitrophenyl) 5-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: (3-nitrophenyl) 5-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C13H8BrNO5
MOLECULAR WEIGHT: 338.11032
SMILES: C1=CC(=CC(=C1)OC(=O)C2=C(C=CC(=C2)Br)O)[N+](=O)[O-]
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Product OPENEYE NAME: dihydroxy(oxo)titanium; 2-hydroxy-2,2-bis[[hydroxy-[hydroxy(octoxy)phosphoryl]oxy-phosphoryl]oxy]acetate
CAS Name: dihydroxy(oxo)titanium; 2-hydroxy-2,2-bis[[hydroxy-[hydroxy(octoxy)phosphoryl]oxyphosphoryl]oxy]acetate
IUPAC NAME: dihydroxy(oxo)titanium; 2-hydroxy-2,2-bis[[hydroxy-[hydroxy(octoxy)phosphoryl]oxyphosphoryl]oxy]acetate
SYSTEMATIC NAME: 2,2-bis[[[octoxy(oxidanyl)phosphoryl]oxy-oxidanyl-phosphoryl]oxy]-2-oxidanyl-ethanoate; bis(oxidanyl)-oxidanylidene-titanium
MOLECULAR FORMULA: C18H41O20P4Ti-
MOLECULAR WEIGHT: 749.268184
SMILES: CCCCCCCCOP(=O)(O)OP(=O)(O)OC(C(=O)[O-])(O)OP(=O)(O)OP(=O)(O)OCCCCCCCC.O[Ti](=O)O
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Product OPENEYE NAME: 2-hydroxy-2,2-bis[[hydroxy-[hydroxy(octoxy)phosphoryl]oxy-phosphoryl]oxy]acetic acid
CAS Name: 2-hydroxy-2,2-bis[[hydroxy-[hydroxy(octoxy)phosphoryl]oxyphosphoryl]oxy]acetic acid
IUPAC NAME: 2-hydroxy-2,2-bis[[hydroxy-[hydroxy(octoxy)phosphoryl]oxyphosphoryl]oxy]acetic acid
SYSTEMATIC NAME: 2,2-bis[[[octoxy(oxidanyl)phosphoryl]oxy-oxidanyl-phosphoryl]oxy]-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C18H40O17P4
MOLECULAR WEIGHT: 652.395044
SMILES: CCCCCCCCOP(=O)(O)OP(=O)(O)OC(C(=O)O)(O)OP(=O)(O)OP(=O)(O)OCCCCCCCC
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Product OPENEYE NAME: [butoxy(hydroxy)phosphoryl] isopropyl octyl phosphate; [butoxy(hydroxy)phosphoryl] octyl hydrogen phosphate; dihydroxy(oxo)titanium
CAS Name: [butoxy(hydroxy)phosphoryl] octyl hydrogen phosphate; dihydroxy(oxo)titanium; phosphoric acid [butoxy(hydroxy)phosphoryl] octyl propan-2-yl ester
IUPAC NAME: [butoxy(hydroxy)phosphoryl] octyl hydrogen phosphate; [butoxy(hydroxy)phosphoryl] octyl propan-2-yl phosphate; dihydroxy(oxo)titanium
SYSTEMATIC NAME: bis(oxidanyl)-oxidanylidene-titanium; [butoxy(oxidanyl)phosphoryl] octyl hydrogen phosphate; [butoxy(oxidanyl)phosphoryl] octyl propan-2-yl phosphate
MOLECULAR FORMULA: C39H92O24P6Ti
MOLECULAR WEIGHT: 1178.842946
SMILES: CCCCCCCCOP(=O)(O)OP(=O)(O)OCCCC.CCCCCCCCOP(=O)(O)OP(=O)(O)OCCCC.CCCCCCCCOP(=O)(OC(C)C)OP(=O)(O)OCCCC.O[Ti](=O)O
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