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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=C1CC(C)(C)C(C#C)OS(=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

C[C@@H]1CCC(=C1CC(C)(C)C(C#C)OS(=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C21H28O2S/c1-7-20(23-24(22)18-12-8-15(2)9-13-18)21(5,6)14-19-16(3)10-11-17(19)4/h1,8-9,12-13,16,20H,10-11,14H2,2-6H3/t16-,20?,24?/m1/s1