(2,6-dimethylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (2,6-dimethylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (2,6-dimethylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid (2,6-dimethylphenyl) ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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