(2-nitro-6-phenyl-phenyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2-nitro-6-phenyl-phenyl)methyl 4-methylbenzenesulfonate Openeye Name: (2-nitro-6-phenyl-phenyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-nitro-6-phenylphenyl)methyl ester IUPAC Name: (2-nitro-6-phenylphenyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-nitro-6-phenyl-benzyl) ester Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO5S/c1-15-10-12-17(13-11-15)27(24,25)26-14-19-18(16-6-3-2-4-7-16)8-5-9-20(19)21(22)23/h2-13H,14H2,1H3