4-[[3-ethoxycarbonyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 4-[[3-ethoxycarbonyl-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 4-[[3-ethoxycarbonyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]naphthalene-1-sulfonic acid CAS Name: 4-[[3-ethoxycarbonyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]azo]-1-naphthalenesulfonic acid IUPAC Name: 4-[[3-ethoxycarbonyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 4-[[3-carbethoxy-5-keto-1-(4-sulfophenyl)-2-pyrazolin-4-yl]azo]naphthalene-1-sulfonic acid Formula: C22H18N4O9S2 MolecularWeight: 546.52972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1N=NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C22H18N4O9S2/c1-2-35-22(28)20-19(21(27)26(25-20)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,19H,2H2,1H3,(H,29,30,31)(H,32,33,34)