5-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-8-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 5-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)-8-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 8-hydroxy-5-(5-methyl-3-oxo-1H-pyrazol-2-yl)naphthalene-2-sulfonic acid CAS Name: 8-hydroxy-5-(5-methyl-3-oxo-1H-pyrazol-2-yl)-2-naphthalenesulfonic acid IUPAC Name: 8-hydroxy-5-(5-methyl-3-oxo-1H-pyrazol-2-yl)naphthalene-2-sulfonic acid Traditional Name: 8-hydroxy-5-(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=C3C=CC(=CC3=C(C=C2)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

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