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

Systemtic Name: 4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Openeye Name: 4-[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid CAS Name: 4-[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid IUPAC Name: 4-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-4-[2-methoxy-5-(2-sulfoxyethylsulfonyl)phenyl]azo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C19H18N4O13S3 MolecularWeight: 606.56022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C19H18N4O13S3/c1-35-15-7-6-13(37(27,28)9-8-36-39(32,33)34)10-14(15)20-21-16-17(19(25)26)22-23(18(16)24)11-2-4-12(5-3-11)38(29,30)31/h2-7,10,16H,8-9H2,1H3,(H,25,26)(H,29,30,31)(H,32,33,34)