[4-[2,5-dimethyl-4-(3-methyl-4-oxidanyl-phenyl)phenyl]phenyl] methanesulfonate

Systemtic Name: [4-[2,5-dimethyl-4-(3-methyl-4-oxidanyl-phenyl)phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-(4-hydroxy-3-methyl-phenyl)-2,5-dimethyl-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-(4-hydroxy-3-methylphenyl)-2,5-dimethylphenyl]phenyl] ester IUPAC Name: [4-[4-(4-hydroxy-3-methylphenyl)-2,5-dimethylphenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-(4-hydroxy-3-methyl-phenyl)-2,5-dimethyl-phenyl]phenyl] ester Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)C)C3=CC(=C(C=C3)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC=C(C=C2)OS(=O)(=O)C)C)C3=CC(=C(C=C3)O)C

InChI

InChI=1S/C22H22O4S/c1-14-13-21(18-7-10-22(23)16(3)11-18)15(2)12-20(14)17-5-8-19(9-6-17)26-27(4,24)25/h5-13,23H,1-4H3