CAS RN: 89823-44-9
CAS Name: (Z)-4-oxo-2-penten-2-olate; titanium(4+)
OPENEYE Name: (Z)-4-oxopent-2-en-2-olate; titanium(4+)
IUPAC Name: (Z)-4-oxopent-2-en-2-olate; titanium(4+)
SYSTEMATIC NAME: (Z)-4-oxidanylidenepent-2-en-2-olate; titanium(4+)
MOLECULAR FORMULA: C20H28O8Ti
MOLECULAR WEIGHT: 444.29852
SMILES: C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].[Ti+4]
Structure:
CAS RN: 17311-35-2
CAS Name: 7-chloro-1-methyl-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3,4-dihydro-1,4-benzodiazepin-2-one
OPENEYE Name: 7-chloro-1-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one
IUPAC Name: 7-chloro-1-methyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-1-methyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-3,4-dihydro-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C16H13ClN2O2
MOLECULAR WEIGHT: 300.73962
SMILES: CN1C(=O)CNC(=C2C=CC(=O)C=C2)C3=C1C=CC(=C3)Cl
Structure:
CAS RN: 15687-41-9
CAS Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)-1-propanone
OPENEYE Name: 3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-(3-methoxyphenyl)propan-1-one
IUPAC Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-3-[[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]propan-1-one
MOLECULAR FORMULA: C19H23NO3
MOLECULAR WEIGHT: 313.39082
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC
Structure:
CAS RN: 21071-51-2
CAS Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)-1-propanone
OPENEYE Name: 3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-(3-methoxyphenyl)propan-1-one
IUPAC Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-3-[[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]propan-1-one
MOLECULAR FORMULA: C19H23NO3
MOLECULAR WEIGHT: 313.39082
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC
Structure:
CAS RN: 16777-42-7
CAS Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)-1-propanone hydrochloride
OPENEYE Name: 3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-(3-methoxyphenyl)propan-1-one hydrochloride
IUPAC Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-3-[[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]propan-1-one hydrochloride
MOLECULAR FORMULA: C19H24ClNO3
MOLECULAR WEIGHT: 349.85176
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC.Cl
Structure:
CAS RN: 10084-20-5
CAS Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)-1-propanone hydrochloride
OPENEYE Name: 3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-(3-methoxyphenyl)propan-1-one hydrochloride
IUPAC Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-3-[[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]propan-1-one hydrochloride
MOLECULAR FORMULA: C19H24ClNO3
MOLECULAR WEIGHT: 349.85176
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC.Cl
Structure:
CAS RN: 21071-44-3
CAS Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)-1-propanone hydrochloride
OPENEYE Name: 3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-(3-methoxyphenyl)propan-1-one hydrochloride
IUPAC Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-3-[[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]propan-1-one hydrochloride
MOLECULAR FORMULA: C19H24ClNO3
MOLECULAR WEIGHT: 349.85176
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC.Cl
Structure:
CAS RN: 7413-39-0
CAS Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)-1-propanone hydrochloride
OPENEYE Name: 3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-(3-methoxyphenyl)propan-1-one hydrochloride
IUPAC Name: 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(3-methoxyphenyl)-3-[[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]propan-1-one hydrochloride
MOLECULAR FORMULA: C19H24ClNO3
MOLECULAR WEIGHT: 349.85176
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC.Cl
Structure:
CAS RN: 16305-88-7
CAS Name: (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[(1S)-2-(carboxymethylamino)-1-methyl-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[(2S)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[(2S)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C10H17N3O6
MOLECULAR WEIGHT: 275.25848
SMILES: C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Structure:
CAS RN: 12349-15-4
CAS Name: aluminum; (E)-1-ethoxy-3-oxo-1-buten-1-olate; 2-propanolate
OPENEYE Name: aluminum; (E)-1-ethoxy-3-oxo-but-1-en-1-olate; propan-2-olate
IUPAC Name: aluminum; (E)-1-ethoxy-3-oxobut-1-en-1-olate; propan-2-olate
SYSTEMATIC NAME: aluminum; (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; propan-2-olate
MOLECULAR FORMULA: C12H23AlO5
MOLECULAR WEIGHT: 274.289558
SMILES: CCO/C(=C/C(=O)C)/[O-].CC(C)[O-].CC(C)[O-].[Al+3]
Structure:
CAS RN: 12573-16-9
CAS Name: aluminum; (E)-1-ethoxy-3-oxo-1-buten-1-olate; 2-propanolate
OPENEYE Name: aluminum; (E)-1-ethoxy-3-oxo-but-1-en-1-olate; propan-2-olate
IUPAC Name: aluminum; (E)-1-ethoxy-3-oxobut-1-en-1-olate; propan-2-olate
SYSTEMATIC NAME: aluminum; (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; propan-2-olate
MOLECULAR FORMULA: C12H23AlO5
MOLECULAR WEIGHT: 274.289558
SMILES: CCO/C(=C/C(=O)C)/[O-].CC(C)[O-].CC(C)[O-].[Al+3]
Structure:
CAS RN: 12768-46-6
CAS Name: aluminum; (E)-1-ethoxy-3-oxo-1-buten-1-olate; 2-propanolate
OPENEYE Name: aluminum; (E)-1-ethoxy-3-oxo-but-1-en-1-olate; propan-2-olate
IUPAC Name: aluminum; (E)-1-ethoxy-3-oxobut-1-en-1-olate; propan-2-olate
SYSTEMATIC NAME: aluminum; (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; propan-2-olate
MOLECULAR FORMULA: C12H23AlO5
MOLECULAR WEIGHT: 274.289558
SMILES: CCO/C(=C/C(=O)C)/[O-].CC(C)[O-].CC(C)[O-].[Al+3]
Structure:
CAS RN: 14782-75-3
CAS Name: aluminum; (E)-1-ethoxy-3-oxo-1-buten-1-olate; 2-propanolate
OPENEYE Name: aluminum; (E)-1-ethoxy-3-oxo-but-1-en-1-olate; propan-2-olate
IUPAC Name: aluminum; (E)-1-ethoxy-3-oxobut-1-en-1-olate; propan-2-olate
SYSTEMATIC NAME: aluminum; (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; propan-2-olate
MOLECULAR FORMULA: C12H23AlO5
MOLECULAR WEIGHT: 274.289558
SMILES: CCO/C(=C/C(=O)C)/[O-].CC(C)[O-].CC(C)[O-].[Al+3]
Structure:
CAS RN: 51381-94-3
CAS Name: aluminum; (E)-1-ethoxy-3-oxo-1-buten-1-olate; 2-propanolate
OPENEYE Name: aluminum; (E)-1-ethoxy-3-oxo-but-1-en-1-olate; propan-2-olate
IUPAC Name: aluminum; (E)-1-ethoxy-3-oxobut-1-en-1-olate; propan-2-olate
SYSTEMATIC NAME: aluminum; (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; propan-2-olate
MOLECULAR FORMULA: C12H23AlO5
MOLECULAR WEIGHT: 274.289558
SMILES: CCO/C(=C/C(=O)C)/[O-].CC(C)[O-].CC(C)[O-].[Al+3]
Structure:
CAS RN: 533937-75-6
CAS Name: aluminum; (E)-1-ethoxy-3-oxo-1-buten-1-olate; 2-propanolate
OPENEYE Name: aluminum; (E)-1-ethoxy-3-oxo-but-1-en-1-olate; propan-2-olate
IUPAC Name: aluminum; (E)-1-ethoxy-3-oxobut-1-en-1-olate; propan-2-olate
SYSTEMATIC NAME: aluminum; (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; propan-2-olate
MOLECULAR FORMULA: C12H23AlO5
MOLECULAR WEIGHT: 274.289558
SMILES: CCO/C(=C/C(=O)C)/[O-].CC(C)[O-].CC(C)[O-].[Al+3]
Structure:
CAS RN: 84592-98-3
CAS Name: aluminum; (E)-1-ethoxy-3-oxo-1-buten-1-olate; 2-propanolate
OPENEYE Name: aluminum; (E)-1-ethoxy-3-oxo-but-1-en-1-olate; propan-2-olate
IUPAC Name: aluminum; (E)-1-ethoxy-3-oxobut-1-en-1-olate; propan-2-olate
SYSTEMATIC NAME: aluminum; (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; propan-2-olate
MOLECULAR FORMULA: C12H23AlO5
MOLECULAR WEIGHT: 274.289558
SMILES: CCO/C(=C/C(=O)C)/[O-].CC(C)[O-].CC(C)[O-].[Al+3]
Structure:
CAS RN: 97047-47-7
CAS Name: aluminum; (E)-1-ethoxy-3-oxo-1-buten-1-olate; 2-propanolate
OPENEYE Name: aluminum; (E)-1-ethoxy-3-oxo-but-1-en-1-olate; propan-2-olate
IUPAC Name: aluminum; (E)-1-ethoxy-3-oxobut-1-en-1-olate; propan-2-olate
SYSTEMATIC NAME: aluminum; (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; propan-2-olate
MOLECULAR FORMULA: C12H23AlO5
MOLECULAR WEIGHT: 274.289558
SMILES: CCO/C(=C/C(=O)C)/[O-].CC(C)[O-].CC(C)[O-].[Al+3]
Structure:
CAS RN: 99489-25-5
CAS Name: aluminum; (E)-1-ethoxy-3-oxo-1-buten-1-olate; 2-propanolate
OPENEYE Name: aluminum; (E)-1-ethoxy-3-oxo-but-1-en-1-olate; propan-2-olate
IUPAC Name: aluminum; (E)-1-ethoxy-3-oxobut-1-en-1-olate; propan-2-olate
SYSTEMATIC NAME: aluminum; (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; propan-2-olate
MOLECULAR FORMULA: C12H23AlO5
MOLECULAR WEIGHT: 274.289558
SMILES: CCO/C(=C/C(=O)C)/[O-].CC(C)[O-].CC(C)[O-].[Al+3]
Structure:
CAS RN: 14323-17-2
CAS Name: iron(3+); (Z)-3-oxo-1-phenyl-1-buten-1-olate
OPENEYE Name: ferric (Z)-3-oxo-1-phenyl-but-1-en-1-olate
IUPAC Name: iron(3+); (Z)-3-oxo-1-phenylbut-1-en-1-olate
SYSTEMATIC NAME: iron(3+); (Z)-3-oxidanylidene-1-phenyl-but-1-en-1-olate
MOLECULAR FORMULA: C30H27FeO6
MOLECULAR WEIGHT: 539.37678
SMILES: CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC(=O)/C=C(\[O-])/C1=CC=CC=C1.CC(=O)/C=C(\[O-])/C1=CC=CC=C1.[Fe+3]
Structure:
CAS RN: 27254-78-0
CAS Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-yl-1-buten-1-olate
OPENEYE Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-(2-thienyl)but-1-en-1-olate
IUPAC Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate
SYSTEMATIC NAME: europium(3+); (Z)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-thiophen-2-yl-but-1-en-1-olate
MOLECULAR FORMULA: C24H12EuF9O6S3
MOLECULAR WEIGHT: 815.493109
SMILES: C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].[Eu+3]
Structure:
CAS RN: 31270-09-4
CAS Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-yl-1-buten-1-olate
OPENEYE Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-(2-thienyl)but-1-en-1-olate
IUPAC Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate
SYSTEMATIC NAME: europium(3+); (Z)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-thiophen-2-yl-but-1-en-1-olate
MOLECULAR FORMULA: C24H12EuF9O6S3
MOLECULAR WEIGHT: 815.493109
SMILES: C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].[Eu+3]
Structure:
CAS RN: 66973-51-1
CAS Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-yl-1-buten-1-olate
OPENEYE Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-(2-thienyl)but-1-en-1-olate
IUPAC Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate
SYSTEMATIC NAME: europium(3+); (Z)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-thiophen-2-yl-but-1-en-1-olate
MOLECULAR FORMULA: C24H12EuF9O6S3
MOLECULAR WEIGHT: 815.493109
SMILES: C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].[Eu+3]
Structure:
CAS RN: 66973-52-2
CAS Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-yl-1-buten-1-olate
OPENEYE Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-(2-thienyl)but-1-en-1-olate
IUPAC Name: europium(3+); (Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate
SYSTEMATIC NAME: europium(3+); (Z)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-thiophen-2-yl-but-1-en-1-olate
MOLECULAR FORMULA: C24H12EuF9O6S3
MOLECULAR WEIGHT: 815.493109
SMILES: C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].C1=CSC(=C1)/C(=C/C(=O)C(F)(F)F)/[O-].[Eu+3]
Structure:
CAS RN: 13934-03-7
CAS Name: (2S)-2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]pentanedioic acid
MOLECULAR FORMULA: C13H16N2O6
MOLECULAR WEIGHT: 296.27594
SMILES: CC1=NC=C(/C(=C\N[C@@H](CCC(=O)O)C(=O)O)/C1=O)CO
Structure:
CAS RN: 11052-01-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H21NO8
MOLECULAR WEIGHT: 499.46824
SMILES: CC1=C(C2=C(C=C1)C(=O)C3=C(C4=C(C=C3C2=O)[C@@H]([C@H](C5=C4C(=C6C(=C5)C=C(NC6=O)C)O)O)OC)O)O
Structure:
CAS RN: 53988-76-4
CAS Name: disodium 3-[[4-[1-[4-[(1,7-dioxo-3-sulfonato-2-naphthalenyl)hydrazo]-3-methylphenyl]cyclohexyl]-2-methylphenyl]hydrazo]-4,6-dioxo-2-naphthalenesulfonate
OPENEYE Name: disodium 3-[2-[4-[1-[4-[2-(1,7-dioxo-3-sulfonato-2-naphthyl)hydrazino]-3-methyl-phenyl]cyclohexyl]-2-methyl-phenyl]hydrazino]-4,6-dioxo-naphthalene-2-sulfonate
IUPAC Name: disodium 3-[2-[4-[1-[4-[2-(1,7-dioxo-3-sulfonatonaphthalen-2-yl)hydrazinyl]-3-methylphenyl]cyclohexyl]-2-methylphenyl]hydrazinyl]-4,6-dioxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium 3-[2-[4-[1-[4-[2-[1,7-bis(oxidanylidene)-3-sulfonato-naphthalen-2-yl]hydrazinyl]-3-methyl-phenyl]cyclohexyl]-2-methyl-phenyl]hydrazinyl]-4,6-bis(oxidanylidene)naphthalene-2-sulfonate
MOLECULAR FORMULA: C40H34N4Na2O10S2
MOLECULAR WEIGHT: 840.8283
SMILES: CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)NNC4=C(C=C5C=CC(=O)C=C5C4=O)S(=O)(=O)[O-])C)NNC6=C(C=C7C=CC(=O)C=C7C6=O)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 6507-79-5
CAS Name: disodium 3-[[4-[1-[4-[(1,7-dioxo-3-sulfonato-2-naphthalenyl)hydrazo]-3-methylphenyl]cyclohexyl]-2-methylphenyl]hydrazo]-4,6-dioxo-2-naphthalenesulfonate
OPENEYE Name: disodium 3-[2-[4-[1-[4-[2-(1,7-dioxo-3-sulfonato-2-naphthyl)hydrazino]-3-methyl-phenyl]cyclohexyl]-2-methyl-phenyl]hydrazino]-4,6-dioxo-naphthalene-2-sulfonate
IUPAC Name: disodium 3-[2-[4-[1-[4-[2-(1,7-dioxo-3-sulfonatonaphthalen-2-yl)hydrazinyl]-3-methylphenyl]cyclohexyl]-2-methylphenyl]hydrazinyl]-4,6-dioxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium 3-[2-[4-[1-[4-[2-[1,7-bis(oxidanylidene)-3-sulfonato-naphthalen-2-yl]hydrazinyl]-3-methyl-phenyl]cyclohexyl]-2-methyl-phenyl]hydrazinyl]-4,6-bis(oxidanylidene)naphthalene-2-sulfonate
MOLECULAR FORMULA: C40H34N4Na2O10S2
MOLECULAR WEIGHT: 840.8283
SMILES: CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)NNC4=C(C=C5C=CC(=O)C=C5C4=O)S(=O)(=O)[O-])C)NNC6=C(C=C7C=CC(=O)C=C7C6=O)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 155948-46-2
CAS Name: disodium 3-[[4-[1-[4-[(1,7-dioxo-3-sulfonato-2-naphthalenyl)hydrazo]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]hydrazo]-4,6-dioxo-2-naphthalenesulfonate
OPENEYE Name: disodium 3-[2-[4-[1-[4-[2-(1,7-dioxo-3-sulfonato-2-naphthyl)hydrazino]-3-methoxy-phenyl]cyclohexyl]-2-methoxy-phenyl]hydrazino]-4,6-dioxo-naphthalene-2-sulfonate
IUPAC Name: disodium 3-[2-[4-[1-[4-[2-(1,7-dioxo-3-sulfonatonaphthalen-2-yl)hydrazinyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]hydrazinyl]-4,6-dioxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium 3-[2-[4-[1-[4-[2-[1,7-bis(oxidanylidene)-3-sulfonato-naphthalen-2-yl]hydrazinyl]-3-methoxy-phenyl]cyclohexyl]-2-methoxy-phenyl]hydrazinyl]-4,6-bis(oxidanylidene)naphthalene-2-sulfonate
MOLECULAR FORMULA: C40H34N4Na2O12S2
MOLECULAR WEIGHT: 872.8271
SMILES: COC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)NNC4=C(C=C5C=CC(=O)C=C5C4=O)S(=O)(=O)[O-])OC)NNC6=C(C=C7C=CC(=O)C=C7C6=O)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 6459-69-4
CAS Name: disodium 3-[[4-[1-[4-[(1,7-dioxo-3-sulfonato-2-naphthalenyl)hydrazo]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]hydrazo]-4,6-dioxo-2-naphthalenesulfonate
OPENEYE Name: disodium 3-[2-[4-[1-[4-[2-(1,7-dioxo-3-sulfonato-2-naphthyl)hydrazino]-3-methoxy-phenyl]cyclohexyl]-2-methoxy-phenyl]hydrazino]-4,6-dioxo-naphthalene-2-sulfonate
IUPAC Name: disodium 3-[2-[4-[1-[4-[2-(1,7-dioxo-3-sulfonatonaphthalen-2-yl)hydrazinyl]-3-methoxyphenyl]cyclohexyl]-2-methoxyphenyl]hydrazinyl]-4,6-dioxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium 3-[2-[4-[1-[4-[2-[1,7-bis(oxidanylidene)-3-sulfonato-naphthalen-2-yl]hydrazinyl]-3-methoxy-phenyl]cyclohexyl]-2-methoxy-phenyl]hydrazinyl]-4,6-bis(oxidanylidene)naphthalene-2-sulfonate
MOLECULAR FORMULA: C40H34N4Na2O12S2
MOLECULAR WEIGHT: 872.8271
SMILES: COC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)NNC4=C(C=C5C=CC(=O)C=C5C4=O)S(=O)(=O)[O-])OC)NNC6=C(C=C7C=CC(=O)C=C7C6=O)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 12286-58-7
CAS Name: (4E)-N-[2-chloro-4-[3-chloro-4-[[[(4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxo-2-naphthalenyl]-oxomethyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxamide
OPENEYE Name: (4E)-N-[2-chloro-4-[3-chloro-4-[[(4Z)-4-[(2-chlorophenyl)hydrazono]-3-oxo-naphthalene-2-carbonyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazono]-3-oxo-naphthalene-2-carboxamide
IUPAC Name: (4E)-N-[2-chloro-4-[3-chloro-4-[[(4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide
SYSTEMATIC NAME: (4E)-N-[2-chloranyl-4-[3-chloranyl-4-[[(4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxidanylidene-naphthalen-2-yl]carbonylamino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxamide
MOLECULAR FORMULA: C46H28Cl4N6O4
MOLECULAR WEIGHT: 870.56432
SMILES: C1=CC=C\2C(=C1)C=C(C(=O)/C2=N/NC3=CC=CC=C3Cl)C(=O)NC4=C(C=C(C=C4)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7/C(=N/NC8=CC=CC=C8Cl)/C6=O)Cl)Cl
Structure:
CAS RN: 5280-74-0
CAS Name: (4E)-N-[2-chloro-4-[3-chloro-4-[[[(4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxo-2-naphthalenyl]-oxomethyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxamide
OPENEYE Name: (4E)-N-[2-chloro-4-[3-chloro-4-[[(4Z)-4-[(2-chlorophenyl)hydrazono]-3-oxo-naphthalene-2-carbonyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazono]-3-oxo-naphthalene-2-carboxamide
IUPAC Name: (4E)-N-[2-chloro-4-[3-chloro-4-[[(4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide
SYSTEMATIC NAME: (4E)-N-[2-chloranyl-4-[3-chloranyl-4-[[(4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxidanylidene-naphthalen-2-yl]carbonylamino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxamide
MOLECULAR FORMULA: C46H28Cl4N6O4
MOLECULAR WEIGHT: 870.56432
SMILES: C1=CC=C\2C(=C1)C=C(C(=O)/C2=N/NC3=CC=CC=C3Cl)C(=O)NC4=C(C=C(C=C4)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7/C(=N/NC8=CC=CC=C8Cl)/C6=O)Cl)Cl
Structure:
CAS RN: 71598-23-7
CAS Name: (4E)-N-[2-chloro-4-[3-chloro-4-[[[(4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxo-2-naphthalenyl]-oxomethyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxo-2-naphthalenecarboxamide
OPENEYE Name: (4E)-N-[2-chloro-4-[3-chloro-4-[[(4Z)-4-[(2-chlorophenyl)hydrazono]-3-oxo-naphthalene-2-carbonyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazono]-3-oxo-naphthalene-2-carboxamide
IUPAC Name: (4E)-N-[2-chloro-4-[3-chloro-4-[[(4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carbonyl]amino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxamide
SYSTEMATIC NAME: (4E)-N-[2-chloranyl-4-[3-chloranyl-4-[[(4Z)-4-[(2-chlorophenyl)hydrazinylidene]-3-oxidanylidene-naphthalen-2-yl]carbonylamino]phenyl]phenyl]-4-[(2-chlorophenyl)hydrazinylidene]-3-oxidanylidene-naphthalene-2-carboxamide
MOLECULAR FORMULA: C46H28Cl4N6O4
MOLECULAR WEIGHT: 870.56432
SMILES: C1=CC=C\2C(=C1)C=C(C(=O)/C2=N/NC3=CC=CC=C3Cl)C(=O)NC4=C(C=C(C=C4)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7/C(=N/NC8=CC=CC=C8Cl)/C6=O)Cl)Cl
Structure:
CAS RN: 2582-88-9
CAS Name: 2-amino-7-(1,2-dihydroxypropyl)-1H-pteridin-4-one
OPENEYE Name: 2-amino-7-(1,2-dihydroxypropyl)-1H-pteridin-4-one
IUPAC Name: 2-amino-7-(1,2-dihydroxypropyl)-1H-pteridin-4-one
SYSTEMATIC NAME: 2-azanyl-7-[1,2-bis(oxidanyl)propyl]-1H-pteridin-4-one
MOLECULAR FORMULA: C9H11N5O3
MOLECULAR WEIGHT: 237.21534
SMILES: CC(C(C1=CN=C2C(=N1)NC(=NC2=O)N)O)O
Structure:
CAS RN: 2239-88-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H10O8
MOLECULAR WEIGHT: 330.2458
SMILES: COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O)O
Structure:
CAS RN: 8003-84-7
CAS Name: disodium 6-methyl-2-[4-[(2E)-2-(1-oxo-4-sulfonato-2-naphthalenylidene)hydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonate
OPENEYE Name: disodium 6-methyl-2-[4-[(2E)-2-(1-oxo-4-sulfonato-2-naphthylidene)hydrazino]phenyl]-1,3-benzothiazole-7-sulfonate
IUPAC Name: disodium 6-methyl-2-[4-[(2E)-2-(1-oxo-4-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonate
SYSTEMATIC NAME: disodium 6-methyl-2-[4-[(2E)-2-(1-oxidanylidene-4-sulfonato-naphthalen-2-ylidene)hydrazinyl]phenyl]-1,3-benzothiazole-7-sulfonate
MOLECULAR FORMULA: C24H15N3Na2O7S3
MOLECULAR WEIGHT: 599.56634
SMILES: CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N/N=C/4\C=C(C5=CC=CC=C5C4=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 921-28-8
CAS Name: (2S,3S)-2-hydroxy-3-propan-2-ylbutanedioic acid
OPENEYE Name: (2S,3S)-2-hydroxy-3-isopropyl-butanedioic acid
IUPAC Name: (2S,3S)-2-hydroxy-3-propan-2-ylbutanedioic acid
SYSTEMATIC NAME: (2S,3S)-2-oxidanyl-3-propan-2-yl-butanedioic acid
MOLECULAR FORMULA: C7H12O5
MOLECULAR WEIGHT: 176.16718
SMILES: CC(C)[C@@H]([C@@H](C(=O)O)O)C(=O)O
Structure:
CAS RN: 128-68-7
CAS Name: (3Z)-3-(2,3-dihydroxy-4-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-6-methylcyclohex-5-ene-1,2,4-trione
OPENEYE Name: (3Z)-3-(2,3-dihydroxy-4-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-6-methyl-cyclohex-5-ene-1,2,4-trione
IUPAC Name: (3Z)-3-(2,3-dihydroxy-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-6-methylcyclohex-5-ene-1,2,4-trione
SYSTEMATIC NAME: (3Z)-6-methyl-3-[4-methyl-2,3-bis(oxidanyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]cyclohex-5-ene-1,2,4-trione
MOLECULAR FORMULA: C14H10O6
MOLECULAR WEIGHT: 274.2256
SMILES: CC1=CC(=O)/C(=C\2/C(=O)C=C(C(=O)C2=O)C)/C(=C1O)O
Structure:
CAS RN: 125-24-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H36N2O6
MOLECULAR WEIGHT: 568.65944
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C(=C5)C6=CC7=C8C(=C6O)O[C@@H]9[C@]81CCN([C@H](C7)[C@@H]1C=C[C@@H]9O)C)O)O[C@H]3[C@H](C=C4)O
Structure:
CAS RN: 84-40-2
CAS Name: (2E)-5-bromo-2-(5-bromo-3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
OPENEYE Name: (2E)-5-bromo-2-(5-bromo-3-oxo-indolin-2-ylidene)indolin-3-one
IUPAC Name: (2E)-5-bromo-2-(5-bromo-3-oxo-1H-indol-2-ylidene)-1H-indol-3-one
SYSTEMATIC NAME: (2E)-5-bromanyl-2-(5-bromanyl-3-oxidanylidene-1H-indol-2-ylidene)-1H-indol-3-one
MOLECULAR FORMULA: C16H8Br2N2O2
MOLECULAR WEIGHT: 420.05492
SMILES: C1=CC2=C(C=C1Br)C(=O)/C(=C\3/C(=O)C4=C(N3)C=CC(=C4)Br)/N2
Structure:
CAS RN: 155136-72-4
CAS Name: 2,4-dimethyl-6H-pyrido[3,2-b]carbazole
OPENEYE Name: 2,4-dimethyl-6H-pyrido[3,2-b]carbazole
IUPAC Name: 2,4-dimethyl-6H-pyrido[3,2-b]carbazole
SYSTEMATIC NAME: 2,4-dimethyl-6H-pyrido[3,2-b]carbazole
MOLECULAR FORMULA: C17H14N2
MOLECULAR WEIGHT: 246.30646
SMILES: CC1=CC(=NC2=C1C=C3C(=C2)C4=CC=CC=C4N3)C
Structure:
CAS RN: 152845-78-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H13NO4
MOLECULAR WEIGHT: 307.30012
SMILES: COC1=C(C2=C3C=CC(=O)C(=O)C=C3C4=C2C(=C1)C=CN4)OC
Structure:
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