(2,2-dimethyl-6-oxidanylidene-5,6-diphenyl-hexa-3,4-dien-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-6-oxidanylidene-5,6-diphenyl-hexa-3,4-dien-3-yl) 4-methylbenzenesulfonate Openeye Name: (1-tert-butyl-4-oxo-3,4-diphenyl-buta-1,2-dienyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-6-oxo-5,6-diphenylhexa-3,4-dien-3-yl) ester IUPAC Name: (2,2-dimethyl-6-oxo-5,6-diphenylhexa-3,4-dien-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-tert-butyl-4-keto-3,4-diphenyl-buta-1,2-dienyl) ester Formula: C27H26O4S MolecularWeight: 446.55794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=C=C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(=C=C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C27H26O4S/c1-20-15-17-23(18-16-20)32(29,30)31-25(27(2,3)4)19-24(21-11-7-5-8-12-21)26(28)22-13-9-6-10-14-22/h5-18H,1-4H3