methyl 2-[2-(4-nitrooxyphenyl)ethanoylsulfanyl]benzoate

Systemtic Name: methyl 2-[2-(4-nitrooxyphenyl)ethanoylsulfanyl]benzoate Openeye Name: methyl 2-[2-(4-nitrooxyphenyl)acetyl]sulfanylbenzoate CAS Name: 2-[[2-(4-nitrooxyphenyl)-1-oxoethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(4-nitrooxyphenyl)acetyl]sulfanylbenzoate Traditional Name: 2-[[2-(4-nitrooxyphenyl)acetyl]thio]benzoic acid methyl ester Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC(=O)CC2=CC=C(C=C2)O[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC(=O)CC2=CC=C(C=C2)O[N+](=O)[O-]

InChI

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