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

Systemtic Name: (2,4-dimethylphenyl) 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (2,4-dimethylphenyl) 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (2,4-dimethylphenyl) ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H15NO4S/c1-11-3-8-15(12(2)9-11)21-16(18)10-22-14-6-4-13(5-7-14)17(19)20/h3-9H,10H2,1-2H3