3-oxidanylidene-2-(4-oxidanyl-6-sulfo-naphthalen-2-yl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-oxidanylidene-2-(4-oxidanyl-6-sulfo-naphthalen-2-yl)-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(4-hydroxy-6-sulfo-2-naphthyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(4-hydroxy-6-sulfo-2-naphthalenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(4-hydroxy-6-sulfonaphthalen-2-yl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(4-hydroxy-6-sulfo-2-naphthyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C14H10N2O7S MolecularWeight: 350.3034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)N3C(=O)C=C(N3)C(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)N3C(=O)C=C(N3)C(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C14H10N2O7S/c17-12-4-8(16-13(18)6-11(15-16)14(19)20)3-7-1-2-9(5-10(7)12)24(21,22)23/h1-6,15,17H,(H,19,20)(H,21,22,23)