2-[2-(acetyloxymethyl)phenyl]sulfanyl-5-nitro-benzoate

Systemtic Name: 2-[2-(acetyloxymethyl)phenyl]sulfanyl-5-nitro-benzoate Openeye Name: 2-[2-(acetoxymethyl)phenyl]sulfanyl-5-nitro-benzoate CAS Name: 2-[[2-(acetyloxymethyl)phenyl]thio]-5-nitrobenzoate IUPAC Name: 2-[2-(acetyloxymethyl)phenyl]sulfanyl-5-nitrobenzoate Traditional Name: 2-[[2-(acetoxymethyl)phenyl]thio]-5-nitro-benzoate Formula: C16H12NO6S- MolecularWeight: 346.33458

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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)/p-1