2-heptyl-2-methyl-4-oxidanyl-3-[(1E,5E)-3-oxidanylocta-1,5-dienyl]cyclopentan-1-one

Systemtic Name: 2-heptyl-2-methyl-4-oxidanyl-3-[(1E,5E)-3-oxidanylocta-1,5-dienyl]cyclopentan-1-one Openeye Name: 2-heptyl-4-hydroxy-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-2-methyl-cyclopentanone CAS Name: 2-heptyl-4-hydroxy-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-2-methyl-1-cyclopentanone IUPAC Name: 2-heptyl-4-hydroxy-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-2-methylcyclopentan-1-one Traditional Name: 2-heptyl-4-hydroxy-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]-2-methyl-cyclopentanone Formula: C21H36O3 MolecularWeight: 336.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C(C(CC1=O)O)C=CC(CC=CCC)O)C

Isomeric SMILES

CCCCCCCC1(C(C(CC1=O)O)/C=C/C(C/C=C/CC)O)C

InChI

InChI=1S/C21H36O3/c1-4-6-8-9-11-15-21(3)18(19(23)16-20(21)24)14-13-17(22)12-10-7-5-2/h7,10,13-14,17-19,22-23H,4-6,8-9,11-12,15-16H2,1-3H3/b10-7+,14-13+