2-[2-(acetyloxymethyl)phenyl]sulfanyl-5-nitro-benzoic acid

Systemtic Name: 2-[2-(acetyloxymethyl)phenyl]sulfanyl-5-nitro-benzoic acid Openeye Name: 2-[2-(acetoxymethyl)phenyl]sulfanyl-5-nitro-benzoic acid CAS Name: 2-[[2-(acetyloxymethyl)phenyl]thio]-5-nitrobenzoic acid IUPAC Name: 2-[2-(acetyloxymethyl)phenyl]sulfanyl-5-nitrobenzoic acid Traditional Name: 2-[[2-(acetoxymethyl)phenyl]thio]-5-nitro-benzoic acid Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(=O)OCC1=CC=CC=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

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