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

Systemtic Name: butyl 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylethanoate Openeye Name: butyl 2-[1-(4-methoxyphenyl)-2-nitro-ethyl]sulfanylacetate CAS Name: 2-[[1-(4-methoxyphenyl)-2-nitroethyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[1-(4-methoxyphenyl)-2-nitroethyl]sulfanylacetate Traditional Name: 2-[[1-(4-methoxyphenyl)-2-nitro-ethyl]thio]acetic acid butyl ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-3-4-9-21-15(17)11-22-14(10-16(18)19)12-5-7-13(20-2)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3