ethyl 2-(2-nitro-1-phenyl-ethyl)sulfanylbenzoate

Systemtic Name: ethyl 2-(2-nitro-1-phenyl-ethyl)sulfanylbenzoate Openeye Name: ethyl 2-(2-nitro-1-phenyl-ethyl)sulfanylbenzoate CAS Name: 2-[(2-nitro-1-phenylethyl)thio]benzoic acid ethyl ester IUPAC Name: ethyl 2-(2-nitro-1-phenylethyl)sulfanylbenzoate Traditional Name: 2-[(2-nitro-1-phenyl-ethyl)thio]benzoic acid ethyl ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1SC(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1SC(C[N+](=O)[O-])C2=CC=CC=C2

InChI

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