(diphenylmethyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (diphenylmethyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: benzhydryl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid benzhydryl ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO4S/c1-27-19-13-12-17(14-18(19)22(24)25)21(23)26-20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3