(2,5-dimethylphenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (2,5-dimethylphenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (2,5-dimethylphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (2,5-dimethylbenzyl) ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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