2-[4-(acetyloxymethyl)-2-nitro-phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[4-(acetyloxymethyl)-2-nitro-phenyl]sulfanylbenzoic acid Openeye Name: 2-[4-(acetoxymethyl)-2-nitro-phenyl]sulfanylbenzoic acid CAS Name: 2-[[4-(acetyloxymethyl)-2-nitrophenyl]thio]benzoic acid IUPAC Name: 2-[4-(acetyloxymethyl)-2-nitrophenyl]sulfanylbenzoic acid Traditional Name: 2-[[4-(acetoxymethyl)-2-nitro-phenyl]thio]benzoic acid Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6S/c1-10(18)23-9-11-6-7-15(13(8-11)17(21)22)24-14-5-3-2-4-12(14)16(19)20/h2-8H,9H2,1H3,(H,19,20)