(2-nitrophenyl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: (2-nitrophenyl)methyl 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: (2-nitrophenyl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid (2-nitrobenzyl) ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C17H17NO4S/c1-12-7-8-16(13(2)9-12)23-11-17(19)22-10-14-5-3-4-6-15(14)18(20)21/h3-9H,10-11H2,1-2H3