3-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-4-oxidanyl-2-(7-oxidanylidene-8-phenoxy-octyl)cyclopentan-1-one

Systemtic Name: 3-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-4-oxidanyl-2-(7-oxidanylidene-8-phenoxy-octyl)cyclopentan-1-one Openeye Name: 4-hydroxy-3-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-2-(7-oxo-8-phenoxy-octyl)cyclopentanone CAS Name: 4-hydroxy-3-[(E)-4-hydroxy-4-methyloct-1-enyl]-2-(7-oxo-8-phenoxyoctyl)-1-cyclopentanone IUPAC Name: 4-hydroxy-3-[(E)-4-hydroxy-4-methyloct-1-enyl]-2-(7-oxo-8-phenoxyoctyl)cyclopentan-1-one Traditional Name: 4-hydroxy-3-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-2-(7-keto-8-phenoxy-octyl)cyclopentanone Formula: C28H42O5 MolecularWeight: 458.63008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)COC2=CC=CC=C2)O)O

Isomeric SMILES

CCCCC(C)(C/C=C/C1C(CC(=O)C1CCCCCCC(=O)COC2=CC=CC=C2)O)O

InChI

InChI=1S/C28H42O5/c1-3-4-18-28(2,32)19-12-17-25-24(26(30)20-27(25)31)16-11-6-5-8-13-22(29)21-33-23-14-9-7-10-15-23/h7,9-10,12,14-15,17,24-25,27,31-32H,3-6,8,11,13,16,18-21H2,1-2H3/b17-12+