methyl 2-[4-(nitrooxymethyl)phenyl]carbonylsulfanylbenzoate

Systemtic Name: methyl 2-[4-(nitrooxymethyl)phenyl]carbonylsulfanylbenzoate Openeye Name: methyl 2-[4-(nitrooxymethyl)benzoyl]sulfanylbenzoate CAS Name: 2-[[[4-(nitrooxymethyl)phenyl]-oxomethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(nitrooxymethyl)benzoyl]sulfanylbenzoate Traditional Name: 2-[[4-(nitrooxymethyl)benzoyl]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)C2=CC=C(C=C2)CO[N+](=O)[O-]

Isomeric SMILES

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

InChI

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