2-heptyl-2-methyl-3-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]cyclopentan-1-one

Systemtic Name: 2-heptyl-2-methyl-3-[(E)-3-methyl-3-oxidanyl-oct-1-enyl]cyclopentan-1-one Openeye Name: 2-heptyl-3-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-2-methyl-cyclopentanone CAS Name: 2-heptyl-3-[(E)-3-hydroxy-3-methyloct-1-enyl]-2-methyl-1-cyclopentanone IUPAC Name: 2-heptyl-3-[(E)-3-hydroxy-3-methyloct-1-enyl]-2-methylcyclopentan-1-one Traditional Name: 2-heptyl-3-[(E)-3-hydroxy-3-methyl-oct-1-enyl]-2-methyl-cyclopentanone Formula: C22H40O2 MolecularWeight: 336.5518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C(CCC1=O)C=CC(C)(CCCCC)O)C

Isomeric SMILES

CCCCCCCC1(C(CCC1=O)/C=C/C(C)(CCCCC)O)C

InChI

InChI=1S/C22H40O2/c1-5-7-9-10-12-17-22(4)19(13-14-20(22)23)15-18-21(3,24)16-11-8-6-2/h15,18-19,24H,5-14,16-17H2,1-4H3/b18-15+