[2-methyl-1,3-bis(4-methylphenyl)-2-oxidanyl-3-oxidanylidene-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-1,3-bis(4-methylphenyl)-2-oxidanyl-3-oxidanylidene-propyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-2-methyl-3-oxo-1,3-bis(p-tolyl)propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-2-methyl-1,3-bis(4-methylphenyl)-3-oxopropyl] ester IUPAC Name: [2-hydroxy-2-methyl-1,3-bis(4-methylphenyl)-3-oxopropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-keto-2-methyl-1,3-bis(p-tolyl)propyl] ester Formula: C25H26O5S MolecularWeight: 438.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C)(C(=O)C2=CC=C(C=C2)C)O)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C(C)(C(=O)C2=CC=C(C=C2)C)O)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H26O5S/c1-17-5-11-20(12-6-17)23(26)25(4,27)24(21-13-7-18(2)8-14-21)30-31(28,29)22-15-9-19(3)10-16-22/h5-16,24,27H,1-4H3