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

Systemtic Name: 4-[2-(2-bromophenyl)-4,5-dimethyl-cyclohexa-1,4-dien-1-yl]butyl 4-methylbenzenesulfonate Openeye Name: 4-[2-(2-bromophenyl)-4,5-dimethyl-cyclohexa-1,4-dien-1-yl]butyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[2-(2-bromophenyl)-4,5-dimethyl-1-cyclohexa-1,4-dienyl]butyl ester IUPAC Name: 4-[2-(2-bromophenyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]butyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[2-(2-bromophenyl)-4,5-dimethyl-cyclohexa-1,4-dien-1-yl]butyl ester Formula: C25H29BrO3S MolecularWeight: 489.46496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrO3S/c1-18-11-13-22(14-12-18)30(27,28)29-15-7-6-8-21-16-19(2)20(3)17-24(21)23-9-4-5-10-25(23)26/h4-5,9-14H,6-8,15-17H2,1-3H3