(E)-7-[2-[(E)-4-methyl-3-oxidanyl-oct-1-en-6-ynyl]-5-oxidanylidene-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-[(E)-4-methyl-3-oxidanyl-oct-1-en-6-ynyl]-5-oxidanylidene-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[2-[(E)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-5-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-5-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-5-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[2-[(E)-3-hydroxy-4-methyl-oct-1-en-6-ynyl]-5-keto-cyclopentyl]hept-5-enoic acid Formula: C21H30O4 MolecularWeight: 346.4605

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C)C(C=CC1CCC(=O)C1CC=CCCCC(=O)O)O

Isomeric SMILES

CC#CCC(C)C(/C=C/C1CCC(=O)C1C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C21H30O4/c1-3-4-9-16(2)19(22)14-12-17-13-15-20(23)18(17)10-7-5-6-8-11-21(24)25/h5,7,12,14,16-19,22H,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+