[4,4-dimethyl-5-(2-methylcyclohexen-1-yl)pent-1-yn-3-yl] 4-methylbenzenesulfinate

Systemtic Name: [4,4-dimethyl-5-(2-methylcyclohexen-1-yl)pent-1-yn-3-yl] 4-methylbenzenesulfinate Openeye Name: 1-[1,1-dimethyl-2-(2-methylcyclohexen-1-yl)ethyl]prop-2-ynyl 4-methylbenzenesulfinate CAS Name: 4-methylbenzenesulfinic acid [4,4-dimethyl-5-(2-methyl-1-cyclohexenyl)pent-1-yn-3-yl] ester IUPAC Name: [4,4-dimethyl-5-(2-methylcyclohexen-1-yl)pent-1-yn-3-yl] 4-methylbenzenesulfinate Traditional Name: 4-methylbenzenesulfinic acid 1-[1,1-dimethyl-2-(2-methylcyclohexen-1-yl)ethyl]prop-2-ynyl ester Formula: C21H28O2S MolecularWeight: 344.51082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCCC1)CC(C)(C)C(C#C)OS(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=C(CCCC1)CC(C)(C)C(C#C)OS(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28O2S/c1-6-20(23-24(22)19-13-11-16(2)12-14-19)21(4,5)15-18-10-8-7-9-17(18)3/h1,11-14,20H,7-10,15H2,2-5H3