3-hexyl-5-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexan-1-one

Systemtic Name: 3-hexyl-5-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexan-1-one Openeye Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-5-hexyl-cyclohexanone CAS Name: 3-hexyl-5-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-cyclohexanone IUPAC Name: 3-hexyl-5-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-one Traditional Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-5-hexyl-cyclohexanone Formula: C27H44O2 MolecularWeight: 400.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(CC(=O)C1)C2=C(C=C(C=C2)C(C)(C)CCCCCC)O

Isomeric SMILES

CCCCCCC1CC(CC(=O)C1)C2=C(C=C(C=C2)C(C)(C)CCCCCC)O

InChI

InChI=1S/C27H44O2/c1-5-7-9-11-13-21-17-22(19-24(28)18-21)25-15-14-23(20-26(25)29)27(3,4)16-12-10-8-6-2/h14-15,20-22,29H,5-13,16-19H2,1-4H3