(3,4,5-trimethoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: (3,4,5-trimethoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: (3,4,5-trimethoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid (3,4,5-trimethoxyphenyl)methyl ester IUPAC Name: (3,4,5-trimethoxyphenyl)methyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid (3,4,5-trimethoxybenzyl) ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19NO7S/c1-23-15-8-12(9-16(24-2)18(15)25-3)10-26-17(20)11-27-14-6-4-13(5-7-14)19(21)22/h4-9H,10-11H2,1-3H3