[4-(4-nitrophenyl)sulfanylphenyl]methyl 2-phenylethanoate

Systemtic Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-phenylethanoate Openeye Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-phenylacetate CAS Name: 2-phenylacetic acid [4-[(4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-phenylacetate Traditional Name: 2-phenylacetic acid [4-[(4-nitrophenyl)thio]benzyl] ester Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)OCC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO4S/c23-21(14-16-4-2-1-3-5-16)26-15-17-6-10-19(11-7-17)27-20-12-8-18(9-13-20)22(24)25/h1-13H,14-15H2