2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]benzoic acid Formula: C15H11NO5S MolecularWeight: 317.31654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO5S/c17-13(10-5-7-11(8-6-10)16(20)21)9-22-14-4-2-1-3-12(14)15(18)19/h1-8H,9H2,(H,18,19)