2-[2-[(5-nitro-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(5-nitro-2-oxidanyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2-hydroxy-5-nitro-anilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2-hydroxy-5-nitroanilino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2-hydroxy-5-nitroanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2-hydroxy-5-nitro-anilino)-2-keto-ethyl]thio]benzoic acid Formula: C15H12N2O6S MolecularWeight: 348.33058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H12N2O6S/c18-12-6-5-9(17(22)23)7-11(12)16-14(19)8-24-13-4-2-1-3-10(13)15(20)21/h1-7,18H,8H2,(H,16,19)(H,20,21)