(4-nitrophenyl)methyl 2-(4-methoxyphenyl)sulfanylethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(4-methoxyphenyl)sulfanylethanoate Openeye Name: (4-nitrophenyl)methyl 2-(4-methoxyphenyl)sulfanylacetate CAS Name: 2-[(4-methoxyphenyl)thio]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-methoxyphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxyphenyl)thio]acetic acid (4-nitrobenzyl) ester Formula: C16H15NO5S MolecularWeight: 333.359

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO5S/c1-21-14-6-8-15(9-7-14)23-11-16(18)22-10-12-2-4-13(5-3-12)17(19)20/h2-9H,10-11H2,1H3