[3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl] 4-nitrobenzenesulfonate

Systemtic Name: [3-(5-methyl-2-oxidanyl-phenyl)-3-phenyl-propyl] 4-nitrobenzenesulfonate Openeye Name: [3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl] ester IUPAC Name: [3-(2-hydroxy-5-methylphenyl)-3-phenylpropyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [3-(2-hydroxy-5-methyl-phenyl)-3-phenyl-propyl] ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6S/c1-16-7-12-22(24)21(15-16)20(17-5-3-2-4-6-17)13-14-29-30(27,28)19-10-8-18(9-11-19)23(25)26/h2-12,15,20,24H,13-14H2,1H3