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

Systemtic Name: 3-[(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)oxysulfonyl]naphthalene-1-sulfonic acid Openeye Name: 3-[(3-methyl-5-oxo-4H-pyrazol-1-yl)oxysulfonyl]naphthalene-1-sulfonic acid CAS Name: 3-[(3-methyl-5-oxo-4H-pyrazol-1-yl)oxysulfonyl]-1-naphthalenesulfonic acid IUPAC Name: 3-[(3-methyl-5-oxo-4H-pyrazol-1-yl)oxysulfonyl]naphthalene-1-sulfonic acid Traditional Name: 3-[(5-keto-3-methyl-2-pyrazolin-1-yl)oxysulfonyl]naphthalene-1-sulfonic acid Formula: C14H12N2O7S2 MolecularWeight: 384.38428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)OS(=O)(=O)C2=CC3=CC=CC=C3C(=C2)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1)OS(=O)(=O)C2=CC3=CC=CC=C3C(=C2)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O7S2/c1-9-6-14(17)16(15-9)23-25(21,22)11-7-10-4-2-3-5-12(10)13(8-11)24(18,19)20/h2-5,7-8H,6H2,1H3,(H,18,19,20)