(2-nitro-3,4-diphenyl-phenyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2-nitro-3,4-diphenyl-phenyl)methyl 4-methylbenzenesulfonate Openeye Name: (2-nitro-3,4-diphenyl-phenyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-nitro-3,4-diphenylphenyl)methyl ester IUPAC Name: (2-nitro-3,4-diphenylphenyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-nitro-3,4-diphenyl-benzyl) ester Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C(=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C(=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H21NO5S/c1-19-12-15-23(16-13-19)33(30,31)32-18-22-14-17-24(20-8-4-2-5-9-20)25(26(22)27(28)29)21-10-6-3-7-11-21/h2-17H,18H2,1H3