2-methylidene-4-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydropentalen-1-one

Systemtic Name: 2-methylidene-4-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydropentalen-1-one Openeye Name: 5-hydroxy-4-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-2-methylene-3,3a,4,5,6,6a-hexahydropentalen-1-one CAS Name: 5-hydroxy-4-[(E)-4-hydroxy-4-methyloct-1-enyl]-2-methylene-3,3a,4,5,6,6a-hexahydropentalen-1-one IUPAC Name: 5-hydroxy-4-[(E)-4-hydroxy-4-methyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydropentalen-1-one Traditional Name: 5-hydroxy-4-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-2-methylene-3,3a,4,5,6,6a-hexahydropentalen-1-one Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC=CC1C(CC2C1CC(=C)C2=O)O)O

Isomeric SMILES

CCCCC(C)(C/C=C/C1C(CC2C1CC(=C)C2=O)O)O

InChI

InChI=1S/C18H28O3/c1-4-5-8-18(3,21)9-6-7-13-14-10-12(2)17(20)15(14)11-16(13)19/h6-7,13-16,19,21H,2,4-5,8-11H2,1,3H3/b7-6+