Product OPENEYE NAME: 2-[ethyl(heptadecyl)amino]-2-(8-fluorooctylsulfonyl)acetic acid
CAS Name: 2-[ethyl(heptadecyl)amino]-2-(8-fluorooctylsulfonyl)acetic acid
IUPAC NAME: 2-[ethyl(heptadecyl)amino]-2-(8-fluorooctylsulfonyl)acetic acid
SYSTEMATIC NAME: 2-[ethyl(heptadecyl)amino]-2-(8-fluoranyloctylsulfonyl)ethanoic acid
MOLECULAR FORMULA: C29H58FNO4S
MOLECULAR WEIGHT: 535.838523
SMILES: CCCCCCCCCCCCCCCCCN(CC)C(C(=O)O)S(=O)(=O)CCCCCCCCF
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Product OPENEYE NAME: cuprous; boron; zirconium(2+)
CAS Name: boron; copper(1+); zirconium(2+)
IUPAC NAME: boron; copper(1+); zirconium(2+)
SYSTEMATIC NAME: boron; copper(1+); zirconium(2+)
MOLECULAR FORMULA: BCuZr+3
MOLECULAR WEIGHT: 165.581
SMILES: [B].[Cu+].[Zr+2]
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Product OPENEYE NAME: vinylidenecalcium carbonate
CAS Name: ethenylidenecalcium carbonate
IUPAC NAME: ethenylidenecalcium carbonate
SYSTEMATIC NAME: ethenylidenecalcium carbonate
MOLECULAR FORMULA: C3H2CaO3-2
MOLECULAR WEIGHT: 126.12418
SMILES: C=C=[Ca].C(=O)([O-])[O-]
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Product OPENEYE NAME: vinylidenecalcium
CAS Name: ethenylidenecalcium
IUPAC NAME: ethenylidenecalcium
SYSTEMATIC NAME: ethenylidenecalcium
MOLECULAR FORMULA: C2H2Ca
MOLECULAR WEIGHT: 66.11528
SMILES: C=C=[Ca]
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Product OPENEYE NAME: cyclohexyl 3,4,5-trihydroxybenzoate
CAS Name: 3,4,5-trihydroxybenzoic acid cyclohexyl ester
IUPAC NAME: cyclohexyl 3,4,5-trihydroxybenzoate
SYSTEMATIC NAME: cyclohexyl 3,4,5-tris(oxidanyl)benzoate
MOLECULAR FORMULA: C13H16O5
MOLECULAR WEIGHT: 252.26314
SMILES: C1CCC(CC1)OC(=O)C2=CC(=C(C(=C2)O)O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H32O4
MOLECULAR WEIGHT: 576.67968
SMILES: CCOC1=C(C(=C(C2=C1CC3=CC=C4C5=CC=C6CC7=CC=CC=C7C8=C6C5=C(C=C8)C9=C4C3=C2C=C9)OC)OC)OCC
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Product OPENEYE NAME: N-[(prop-2-enoylamino)methyl]-2-vinylsulfonyl-propanamide
CAS Name: 2-ethenylsulfonyl-N-[(1-oxoprop-2-enylamino)methyl]propanamide
IUPAC NAME: 2-ethenylsulfonyl-N-[(prop-2-enoylamino)methyl]propanamide
SYSTEMATIC NAME: 2-ethenylsulfonyl-N-[(prop-2-enoylamino)methyl]propanamide
MOLECULAR FORMULA: C9H14N2O4S
MOLECULAR WEIGHT: 246.28346
SMILES: CC(C(=O)NCNC(=O)C=C)S(=O)(=O)C=C
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Product OPENEYE NAME: 3-oxo-3-[(prop-2-enoylamino)methylamino]propane-1-sulfonyl chloride
CAS Name: 3-oxo-3-[(1-oxoprop-2-enylamino)methylamino]-1-propanesulfonyl chloride
IUPAC NAME: 3-oxo-3-[(prop-2-enoylamino)methylamino]propane-1-sulfonyl chloride
SYSTEMATIC NAME: 3-oxidanylidene-3-[(prop-2-enoylamino)methylamino]propane-1-sulfonyl chloride
MOLECULAR FORMULA: C7H11ClN2O4S
MOLECULAR WEIGHT: 254.69124
SMILES: C=CC(=O)NCNC(=O)CCS(=O)(=O)Cl
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Product OPENEYE NAME: 2-(1-methylallylsulfonyl)-N-[(3-vinylphenyl)methyl]propanamide
CAS Name: 2-but-3-en-2-ylsulfonyl-N-[(3-ethenylphenyl)methyl]propanamide
IUPAC NAME: 2-but-3-en-2-ylsulfonyl-N-[(3-ethenylphenyl)methyl]propanamide
SYSTEMATIC NAME: 2-but-3-en-2-ylsulfonyl-N-[(3-ethenylphenyl)methyl]propanamide
MOLECULAR FORMULA: C16H21NO3S
MOLECULAR WEIGHT: 307.40784
SMILES: CC(C=C)S(=O)(=O)C(C)C(=O)NCC1=CC=CC(=C1)C=C
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Product OPENEYE NAME: sodium; (prop-2-enoylamino) 2-methylpropane-1-sulfonate; 1-(2-sulfinatoethylsulfonyl)-4-vinyl-benzene; 2-vinylsulfonylpropan-2-ol
CAS Name: sodium; 1-ethenyl-4-(2-sulfinatoethylsulfonyl)benzene; 2-ethenylsulfonyl-2-propanol; 2-methyl-1-propanesulfonic acid
IUPAC NAME: sodium; 1-ethenyl-4-(2-sulfinatoethylsulfonyl)benzene; 2-ethenylsulfonylpropan-2-ol; (prop-2-enoylamino) 2-methylpropane-1-sulfonate
SYSTEMATIC NAME: sodium; 1-ethenyl-4-(2-sulfinatoethylsulfonyl)benzene; 2-ethenylsulfonylpropan-2-ol; (prop-2-enoylamino) 2-methylpropane-1-sulfonate
MOLECULAR FORMULA: C22H34NNaO11S4
MOLECULAR WEIGHT: 639.75523
SMILES: CC(C)CS(=O)(=O)ONC(=O)C=C.CC(C)(O)S(=O)(=O)C=C.C=CC1=CC=C(C=C1)S(=O)(=O)CC[S-](=O)=O.[Na+]
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Product OPENEYE NAME: 2-vinylsulfonylpropan-2-ol
CAS Name: 2-ethenylsulfonyl-2-propanol
IUPAC NAME: 2-ethenylsulfonylpropan-2-ol
SYSTEMATIC NAME: 2-ethenylsulfonylpropan-2-ol
MOLECULAR FORMULA: C5H10O3S
MOLECULAR WEIGHT: 150.1961
SMILES: CC(C)(O)S(=O)(=O)C=C
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Product OPENEYE NAME: 2-(4-vinylphenyl)sulfonylethanesulfinate
CAS Name: 2-(4-ethenylphenyl)sulfonylethanesulfinate
IUPAC NAME: 2-(4-ethenylphenyl)sulfonylethanesulfinate
SYSTEMATIC NAME: 2-(4-ethenylphenyl)sulfonylethanesulfinate
MOLECULAR FORMULA: C10H11O4S2-
MOLECULAR WEIGHT: 259.32194
SMILES: C=CC1=CC=C(C=C1)S(=O)(=O)CCS(=O)[O-]
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Product OPENEYE NAME: 3-(1-methylallylsulfonyl)-N-[(2-vinylphenyl)methyl]propanamide
CAS Name: 3-but-3-en-2-ylsulfonyl-N-[(2-ethenylphenyl)methyl]propanamide
IUPAC NAME: 3-but-3-en-2-ylsulfonyl-N-[(2-ethenylphenyl)methyl]propanamide
SYSTEMATIC NAME: 3-but-3-en-2-ylsulfonyl-N-[(2-ethenylphenyl)methyl]propanamide
MOLECULAR FORMULA: C16H21NO3S
MOLECULAR WEIGHT: 307.40784
SMILES: CC(C=C)S(=O)(=O)CCC(=O)NCC1=CC=CC=C1C=C
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Product OPENEYE NAME: N-[3-(vinylsulfonylamino)propyl]ethenesulfonamide
CAS Name: N-[3-(ethenylsulfonylamino)propyl]ethenesulfonamide
IUPAC NAME: N-[3-(ethenylsulfonylamino)propyl]ethenesulfonamide
SYSTEMATIC NAME: N-[3-(ethenylsulfonylamino)propyl]ethenesulfonamide
MOLECULAR FORMULA: C7H14N2O4S2
MOLECULAR WEIGHT: 254.32706
SMILES: C=CS(=O)(=O)NCCCNS(=O)(=O)C=C
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Product OPENEYE NAME: 1-anilinonaphthalen-2-ol
CAS Name: 1-anilino-2-naphthalenol
IUPAC NAME: 1-anilinonaphthalen-2-ol
SYSTEMATIC NAME: 1-phenylazanylnaphthalen-2-ol
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: C1=CC=C(C=C1)NC2=C(C=CC3=CC=CC=C32)O
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Product OPENEYE NAME: 6-methoxynaphthalene-1,4-diol
CAS Name: 6-methoxynaphthalene-1,4-diol
IUPAC NAME: 6-methoxynaphthalene-1,4-diol
SYSTEMATIC NAME: 6-methoxynaphthalene-1,4-diol
MOLECULAR FORMULA: C11H10O3
MOLECULAR WEIGHT: 190.1953
SMILES: COC1=CC2=C(C=CC(=C2C=C1)O)O
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Product OPENEYE NAME: 2-benzyl-6-methoxy-naphthalen-1-ol
CAS Name: 6-methoxy-2-(phenylmethyl)-1-naphthalenol
IUPAC NAME: 2-benzyl-6-methoxynaphthalen-1-ol
SYSTEMATIC NAME: 6-methoxy-2-(phenylmethyl)naphthalen-1-ol
MOLECULAR FORMULA: C18H16O2
MOLECULAR WEIGHT: 264.31844
SMILES: COC1=CC2=C(C=C1)C(=C(C=C2)CC3=CC=CC=C3)O
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C25H20O
MOLECULAR WEIGHT: 336.4257
SMILES: C1CC2=C(C=CC=C2CC3=CC=CC=C31)C4=C(C5=CC=CC=C5C=C4)O
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Product OPENEYE NAME: 5-sulfonylcyclohexa-1,3-diene-1,4-diol
CAS Name: 5-sulfonylcyclohexa-1,3-diene-1,4-diol
IUPAC NAME: 5-sulfonylcyclohexa-1,3-diene-1,4-diol
SYSTEMATIC NAME: 5-sulfonylcyclohexa-1,3-diene-1,4-diol
MOLECULAR FORMULA: C6H6O4S
MOLECULAR WEIGHT: 174.17444
SMILES: C1C(=CC=C(C1=S(=O)=O)O)O
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Product OPENEYE NAME: 2-(9H-fluoren-9-yl)naphthalen-1-ol
CAS Name: 2-(9H-fluoren-9-yl)-1-naphthalenol
IUPAC NAME: 2-(9H-fluoren-9-yl)naphthalen-1-ol
SYSTEMATIC NAME: 2-(9H-fluoren-9-yl)naphthalen-1-ol
MOLECULAR FORMULA: C23H16O
MOLECULAR WEIGHT: 308.37254
SMILES: C1=CC=C2C(=C1)C=CC(=C2O)C3C4=CC=CC=C4C5=CC=CC=C35
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Product OPENEYE NAME: 2-(p-tolylmethyl)naphthalen-1-ol
CAS Name: 2-[(4-methylphenyl)methyl]-1-naphthalenol
IUPAC NAME: 2-[(4-methylphenyl)methyl]naphthalen-1-ol
SYSTEMATIC NAME: 2-[(4-methylphenyl)methyl]naphthalen-1-ol
MOLECULAR FORMULA: C18H16O
MOLECULAR WEIGHT: 248.31904
SMILES: CC1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C=C2)O
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Product OPENEYE NAME: 4-methoxy-9-phenyl-anthracen-1-ol
CAS Name: 4-methoxy-9-phenyl-1-anthracenol
IUPAC NAME: 4-methoxy-9-phenylanthracen-1-ol
SYSTEMATIC NAME: 4-methoxy-9-phenyl-anthracen-1-ol
MOLECULAR FORMULA: C21H16O2
MOLECULAR WEIGHT: 300.35054
SMILES: COC1=CC=C(C2=C(C3=CC=CC=C3C=C12)C4=CC=CC=C4)O
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