2-methyl-4-oxidanyl-3-[(E)-3-oxidanyloct-1-enyl]-2-(6-phenylheptyl)cyclopentan-1-one

Systemtic Name: 2-methyl-4-oxidanyl-3-[(E)-3-oxidanyloct-1-enyl]-2-(6-phenylheptyl)cyclopentan-1-one Openeye Name: 4-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]-2-methyl-2-(6-phenylheptyl)cyclopentanone CAS Name: 4-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]-2-methyl-2-(6-phenylheptyl)-1-cyclopentanone IUPAC Name: 4-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]-2-methyl-2-(6-phenylheptyl)cyclopentan-1-one Traditional Name: 4-hydroxy-3-[(E)-3-hydroxyoct-1-enyl]-2-methyl-2-(6-phenylheptyl)cyclopentanone Formula: C27H42O3 MolecularWeight: 414.62058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=O)C1(C)CCCCCC(C)C2=CC=CC=C2)O)O

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=O)C1(C)CCCCCC(C)C2=CC=CC=C2)O)O

InChI

InChI=1S/C27H42O3/c1-4-5-8-16-23(28)17-18-24-25(29)20-26(30)27(24,3)19-12-7-9-13-21(2)22-14-10-6-11-15-22/h6,10-11,14-15,17-18,21,23-25,28-29H,4-5,7-9,12-13,16,19-20H2,1-3H3/b18-17+