2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid Openeye Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]naphthalene-1-sulfonic acid CAS Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-1-naphthalenesulfonic acid IUPAC Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonic acid Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]naphthalene-1-sulfonic acid Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O4S/c1-13-18(20(25)24(23-13)15-8-3-2-4-9-15)22-21-17-12-11-14-7-5-6-10-16(14)19(17)29(26,27)28/h2-12,18H,1H3,(H,26,27,28)