2-(4-ethanoyl-2-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 2-(4-ethanoyl-2-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 2-(4-acetyl-2-nitro-phenyl)sulfanylbenzoic acid CAS Name: 2-[(4-acetyl-2-nitrophenyl)thio]benzoic acid IUPAC Name: 2-(4-acetyl-2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 2-[(4-acetyl-2-nitro-phenyl)thio]benzoic acid Formula: C15H11NO5S MolecularWeight: 317.31654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11NO5S/c1-9(17)10-6-7-14(12(8-10)16(20)21)22-13-5-3-2-4-11(13)15(18)19/h2-8H,1H3,(H,18,19)