2-[(1S,3R,5R)-3-hexyl-5-oxidanyl-cyclohexyl]-5-(2-methyloctan-2-yl)phenol

Systemtic Name: 2-[(1S,3R,5R)-3-hexyl-5-oxidanyl-cyclohexyl]-5-(2-methyloctan-2-yl)phenol Openeye Name: 5-(1,1-dimethylheptyl)-2-[(1S,3R,5R)-3-hexyl-5-hydroxy-cyclohexyl]phenol CAS Name: 2-[(1S,3R,5R)-3-hexyl-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol IUPAC Name: 2-[(1S,3R,5R)-3-hexyl-5-hydroxycyclohexyl]-5-(2-methyloctan-2-yl)phenol Traditional Name: 5-(1,1-dimethylheptyl)-2-[(1S,3R,5R)-3-hexyl-5-hydroxy-cyclohexyl]phenol Formula: C27H46O2 MolecularWeight: 402.65294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC[C@@H]1C[C@@H](C[C@@H](C1)O)C2=C(C=C(C=C2)C(C)(C)CCCCCC)O

InChI

InChI=1S/C27H46O2/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/h14-15,20-22,24,28-29H,5-13,16-19H2,1-4H3/t21-,22+,24-/m1/s1