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

Systemtic Name: 4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)naphthalene-1-sulfonic acid Openeye Name: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)naphthalene-1-sulfonic acid CAS Name: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)-1-naphthalenesulfonic acid IUPAC Name: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)naphthalene-1-sulfonic acid Traditional Name: 4-(5-keto-3-methyl-3-pyrazolin-1-yl)naphthalene-1-sulfonic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC=C(C3=CC=CC=C32)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC=C(C3=CC=CC=C32)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O4S/c1-9-8-14(17)16(15-9)12-6-7-13(21(18,19)20)11-5-3-2-4-10(11)12/h2-8,15H,1H3,(H,18,19,20)