ethyl 3-nitro-4-(phenylsulfanylmethyl)benzoate

Systemtic Name: ethyl 3-nitro-4-(phenylsulfanylmethyl)benzoate Openeye Name: ethyl 3-nitro-4-(phenylsulfanylmethyl)benzoate CAS Name: 3-nitro-4-[(phenylthio)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-4-(phenylsulfanylmethyl)benzoate Traditional Name: 3-nitro-4-[(phenylthio)methyl]benzoic acid ethyl ester Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4S/c1-2-21-16(18)12-8-9-13(15(10-12)17(19)20)11-22-14-6-4-3-5-7-14/h3-10H,2,11H2,1H3