(4-nitrophenyl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: (4-nitrophenyl)methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid (4-nitrobenzyl) ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5S/c1-12(19)11-24-16-5-3-2-4-15(16)17(20)23-10-13-6-8-14(9-7-13)18(21)22/h2-9H,10-11H2,1H3