6-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-4-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-4-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 4-hydroxy-6-(5-methyl-3-oxo-1H-pyrazol-2-yl)naphthalene-2-sulfonic acid CAS Name: 4-hydroxy-6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-2-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-6-(5-methyl-3-oxo-1H-pyrazol-2-yl)naphthalene-2-sulfonic acid Traditional Name: 4-hydroxy-6-(5-keto-3-methyl-3-pyrazolin-1-yl)naphthalene-2-sulfonic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C14H12N2O5S/c1-8-4-14(18)16(15-8)10-3-2-9-5-11(22(19,20)21)7-13(17)12(9)6-10/h2-7,15,17H,1H3,(H,19,20,21)