(3,4-dimethoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (3,4-dimethoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (3,4-dimethoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid veratryl ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17NO6S/c1-22-15-8-3-12(9-16(15)23-2)10-24-17(19)11-25-14-6-4-13(5-7-14)18(20)21/h3-9H,10-11H2,1-2H3