phenacyl 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: phenacyl 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: phenacyl 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid phenacyl ester IUPAC Name: phenacyl 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid phenacyl ester Formula: C16H13NO5S MolecularWeight: 331.34312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO5S/c18-15(12-4-2-1-3-5-12)10-22-16(19)11-23-14-8-6-13(7-9-14)17(20)21/h1-9H,10-11H2