(1S,2S,3S,4S)-3,5,5-trimethyl-4-[(E,3R)-3-oxidanylbut-1-enyl]cyclohexane-1,2-diol

Systemtic Name: (1S,2S,3S,4S)-3,5,5-trimethyl-4-[(E,3R)-3-oxidanylbut-1-enyl]cyclohexane-1,2-diol Openeye Name: (1S,2S,3S,4S)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohexane-1,2-diol CAS Name: (1S,2S,3S,4S)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohexane-1,2-diol IUPAC Name: (1S,2S,3S,4S)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohexane-1,2-diol Traditional Name: (1S,2S,3S,4S)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethyl-cyclohexane-1,2-diol Formula: C13H24O3 MolecularWeight: 228.32786

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(C1O)O)(C)C)C=CC(C)O

Isomeric SMILES

C[C@H]1[C@@H](C(C[C@@H]([C@H]1O)O)(C)C)/C=C/[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/h5-6,8-12,14-16H,7H2,1-4H3/b6-5+/t8-,9+,10+,11+,12+/m1/s1