[2-methyl-4-(3-methylphenyl)phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [2-methyl-4-(3-methylphenyl)phenyl] 4-nitrobenzenesulfonate Openeye Name: [2-methyl-4-(m-tolyl)phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-methyl-4-(3-methylphenyl)phenyl] ester IUPAC Name: [2-methyl-4-(3-methylphenyl)phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-methyl-4-(m-tolyl)phenyl] ester Formula: C20H17NO5S MolecularWeight: 383.41768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO5S/c1-14-4-3-5-16(12-14)17-6-11-20(15(2)13-17)26-27(24,25)19-9-7-18(8-10-19)21(22)23/h3-13H,1-2H3