(3,5-dimethylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (3,5-dimethylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (3,5-dimethylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid (3,5-dimethylphenyl) ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

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