butyl 2-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylethanoate

Systemtic Name: butyl 2-[1-(4-methylphenyl)-2-nitro-ethyl]sulfanylethanoate Openeye Name: butyl 2-[2-nitro-1-(p-tolyl)ethyl]sulfanylacetate CAS Name: 2-[[1-(4-methylphenyl)-2-nitroethyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[1-(4-methylphenyl)-2-nitroethyl]sulfanylacetate Traditional Name: 2-[[2-nitro-1-(p-tolyl)ethyl]thio]acetic acid butyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC(C[N+](=O)[O-])C1=CC=C(C=C1)C

Isomeric SMILES

CCCCOC(=O)CSC(C[N+](=O)[O-])C1=CC=C(C=C1)C

InChI

InChI=1S/C15H21NO4S/c1-3-4-9-20-15(17)11-21-14(10-16(18)19)13-7-5-12(2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3