sodium 8-(2-nitrophenyl)sulfanyl-5,6-bis(oxidanyl)naphthalene-2-sulfonate

Systemtic Name: sodium 8-(2-nitrophenyl)sulfanyl-5,6-bis(oxidanyl)naphthalene-2-sulfonate Openeye Name: sodium 5,6-dihydroxy-8-(2-nitrophenyl)sulfanyl-naphthalene-2-sulfonate CAS Name: sodium 5,6-dihydroxy-8-[(2-nitrophenyl)thio]-2-naphthalenesulfonate IUPAC Name: sodium 5,6-dihydroxy-8-(2-nitrophenyl)sulfanylnaphthalene-2-sulfonate Traditional Name: sodium 5,6-dihydroxy-8-[(2-nitrophenyl)thio]naphthalene-2-sulfonate Formula: C16H10NNaO7S2 MolecularWeight: 415.37287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C3C=C(C=CC3=C(C(=C2)O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C3C=C(C=CC3=C(C(=C2)O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H11NO7S2.Na/c18-13-8-15(25-14-4-2-1-3-12(14)17(20)21)11-7-9(26(22,23)24)5-6-10(11)16(13)19;/h1-8,18-19H,(H,22,23,24);/q;+1/p-1