2-[2-(2-bromophenyl)-4,5-dimethyl-cyclohexa-1,4-dien-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(2-bromophenyl)-4,5-dimethyl-cyclohexa-1,4-dien-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-(2-bromophenyl)-4,5-dimethyl-cyclohexa-1,4-dien-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(2-bromophenyl)-4,5-dimethyl-1-cyclohexa-1,4-dienyl]ethyl ester IUPAC Name: 2-[2-(2-bromophenyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-(2-bromophenyl)-4,5-dimethyl-cyclohexa-1,4-dien-1-yl]ethyl ester Formula: C23H25BrO3S MolecularWeight: 461.4118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(C1)CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3Br)C

Isomeric SMILES

CC1=C(CC(=C(C1)CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3Br)C

InChI

InChI=1S/C23H25BrO3S/c1-16-8-10-20(11-9-16)28(25,26)27-13-12-19-14-17(2)18(3)15-22(19)21-6-4-5-7-23(21)24/h4-11H,12-15H2,1-3H3