3-(4-methyloct-1-ynyl)-2-[6,7,7-tris(oxidanyl)-5-oxidanylidene-hept-6-enyl]cyclopentan-1-one

Systemtic Name: 3-(4-methyloct-1-ynyl)-2-[6,7,7-tris(oxidanyl)-5-oxidanylidene-hept-6-enyl]cyclopentan-1-one Openeye Name: 3-(4-methyloct-1-ynyl)-2-(6,7,7-trihydroxy-5-oxo-hept-6-enyl)cyclopentanone CAS Name: 3-(4-methyloct-1-ynyl)-2-(6,7,7-trihydroxy-5-oxohept-6-enyl)-1-cyclopentanone IUPAC Name: 3-(4-methyloct-1-ynyl)-2-(6,7,7-trihydroxy-5-oxohept-6-enyl)cyclopentan-1-one Traditional Name: 3-(4-methyloct-1-ynyl)-2-(6,7,7-trihydroxy-5-keto-hept-6-enyl)cyclopentanone Formula: C21H32O5 MolecularWeight: 364.47578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC#CC1CCC(=O)C1CCCCC(=O)C(=C(O)O)O

Isomeric SMILES

CCCCC(C)CC#CC1CCC(=O)C1CCCCC(=O)C(=C(O)O)O

InChI

InChI=1S/C21H32O5/c1-3-4-8-15(2)9-7-10-16-13-14-18(22)17(16)11-5-6-12-19(23)20(24)21(25)26/h15-17,24-26H,3-6,8-9,11-14H2,1-2H3