[1-(4-methylphenyl)sulfanyl-4-nitro-pentan-3-yl] ethanoate

Systemtic Name: [1-(4-methylphenyl)sulfanyl-4-nitro-pentan-3-yl] ethanoate Openeye Name: [2-nitro-1-[2-(p-tolylsulfanyl)ethyl]propyl] acetate CAS Name: acetic acid [1-[(4-methylphenyl)thio]-4-nitropentan-3-yl] ester IUPAC Name: [1-(4-methylphenyl)sulfanyl-4-nitropentan-3-yl] acetate Traditional Name: acetic acid [2-nitro-1-[2-(p-tolylthio)ethyl]propyl] ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(C(C)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(C(C)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C14H19NO4S/c1-10-4-6-13(7-5-10)20-9-8-14(19-12(3)16)11(2)15(17)18/h4-7,11,14H,8-9H2,1-3H3