4-ethoxy-2-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]naphthalene-1-sulfonate

Systemtic Name: 4-ethoxy-2-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrol-1-ium-1-yl]naphthalene-1-sulfonate Openeye Name: 4-ethoxy-2-(1-hydroxy-2,5-dioxo-pyrrol-1-ium-1-yl)naphthalene-1-sulfonate CAS Name: 4-ethoxy-2-(1-hydroxy-2,5-dioxo-1-pyrrol-1-iumyl)-1-naphthalenesulfonate IUPAC Name: 4-ethoxy-2-(1-hydroxy-2,5-dioxopyrrol-1-ium-1-yl)naphthalene-1-sulfonate Traditional Name: 4-ethoxy-2-(1-hydroxy-2,5-diketo-3-pyrrolin-1-ium-1-yl)naphthalene-1-sulfonate Formula: C16H13NO7S MolecularWeight: 363.34192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C2=CC=CC=C21)S(=O)(=O)[O-])[N+]3(C(=O)C=CC3=O)O

Isomeric SMILES

CCOC1=CC(=C(C2=CC=CC=C21)S(=O)(=O)[O-])[N+]3(C(=O)C=CC3=O)O

InChI

InChI=1S/C16H13NO7S/c1-2-24-13-9-12(17(20)14(18)7-8-15(17)19)16(25(21,22)23)11-6-4-3-5-10(11)13/h3-9,20H,2H2,1H3