1-(3-aminophenyl)-4-[[2-ethoxy-4-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]-5-oxidanylidene-4H-pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-aminophenyl)-4-[[2-ethoxy-4-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]-5-oxidanylidene-4H-pyrazole-3-carboxylic acid Openeye Name: 1-(3-aminophenyl)-4-[2-ethoxy-4-(3-sulfophenyl)azo-phenyl]azo-5-oxo-4H-pyrazole-3-carboxylic acid CAS Name: 1-(3-aminophenyl)-4-[2-ethoxy-4-(3-sulfophenyl)azophenyl]azo-5-oxo-4H-pyrazole-3-carboxylic acid IUPAC Name: 1-(3-aminophenyl)-4-[[2-ethoxy-4-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]-5-oxo-4H-pyrazole-3-carboxylic acid Traditional Name: 1-(3-aminophenyl)-4-[2-ethoxy-4-(3-sulfophenyl)azo-phenyl]azo-5-keto-2-pyrazoline-3-carboxylic acid Formula: C24H21N7O7S MolecularWeight: 551.53124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N=NC3C(=NN(C3=O)C4=CC(=CC=C4)N)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N=NC3C(=NN(C3=O)C4=CC(=CC=C4)N)C(=O)O

InChI

InChI=1S/C24H21N7O7S/c1-2-38-20-13-16(27-26-15-6-4-8-18(12-15)39(35,36)37)9-10-19(20)28-29-21-22(24(33)34)30-31(23(21)32)17-7-3-5-14(25)11-17/h3-13,21H,2,25H2,1H3,(H,33,34)(H,35,36,37)