3-methyl-2-[(3E,7E)-7-methyl-13-oxidanyl-trideca-3,7-dien-11-ynyl]cyclopent-2-en-1-one

Systemtic Name: 3-methyl-2-[(3E,7E)-7-methyl-13-oxidanyl-trideca-3,7-dien-11-ynyl]cyclopent-2-en-1-one Openeye Name: 2-[(3E,7E)-13-hydroxy-7-methyl-trideca-3,7-dien-11-ynyl]-3-methyl-cyclopent-2-en-1-one CAS Name: 2-[(3E,7E)-13-hydroxy-7-methyltrideca-3,7-dien-11-ynyl]-3-methyl-1-cyclopent-2-enone IUPAC Name: 2-[(3E,7E)-13-hydroxy-7-methyltrideca-3,7-dien-11-ynyl]-3-methylcyclopent-2-en-1-one Traditional Name: 2-[(3E,7E)-13-hydroxy-7-methyl-trideca-3,7-dien-11-ynyl]-3-methyl-cyclopent-2-en-1-one Formula: C20H28O2 MolecularWeight: 300.43512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC1)CCC=CCCC(=CCCC#CCO)C

Isomeric SMILES

CC1=C(C(=O)CC1)CC/C=C/CC/C(=C/CCC#CCO)/C

InChI

InChI=1S/C20H28O2/c1-17(12-8-5-6-10-16-21)11-7-3-4-9-13-19-18(2)14-15-20(19)22/h3-4,12,21H,5,7-9,11,13-16H2,1-2H3/b4-3+,17-12+