(1S,2R)-3,5,5-trimethyl-4-[(3R)-3-oxidanylbutyl]cyclohex-3-ene-1,2-diol

Systemtic Name: (1S,2R)-3,5,5-trimethyl-4-[(3R)-3-oxidanylbutyl]cyclohex-3-ene-1,2-diol Openeye Name: (1S,2R)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethyl-cyclohex-3-ene-1,2-diol CAS Name: (1S,2R)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol IUPAC Name: (1S,2R)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol Traditional Name: (1S,2R)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethyl-cyclohex-3-ene-1,2-diol Formula: C13H24O3 MolecularWeight: 228.32786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1O)O)(C)C)CCC(C)O

Isomeric SMILES

CC1=C(C(C[C@@H]([C@@H]1O)O)(C)C)CC[C@@H](C)O

InChI

InChI=1S/C13H24O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h8,11-12,14-16H,5-7H2,1-4H3/t8-,11+,12-/m1/s1