6-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)-8-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 6-(5-ethoxycarbonyl-3-oxidanylidene-1H-pyrazol-2-yl)-8-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 6-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)-8-hydroxy-naphthalene-2-sulfonic acid CAS Name: 6-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)-8-hydroxy-2-naphthalenesulfonic acid IUPAC Name: 6-(5-ethoxycarbonyl-3-oxo-1H-pyrazol-2-yl)-8-hydroxynaphthalene-2-sulfonic acid Traditional Name: 6-(3-carbethoxy-5-keto-3-pyrazolin-1-yl)-8-hydroxy-naphthalene-2-sulfonic acid Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)N(N1)C2=CC(=C3C=C(C=CC3=C2)S(=O)(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC(=O)N(N1)C2=CC(=C3C=C(C=CC3=C2)S(=O)(=O)O)O

InChI

InChI=1S/C16H14N2O7S/c1-2-25-16(21)13-8-15(20)18(17-13)10-5-9-3-4-11(26(22,23)24)7-12(9)14(19)6-10/h3-8,17,19H,2H2,1H3,(H,22,23,24)