(2S)-5-methyl-1-[(3S,6R)-6-methyl-3-propan-2-yl-cyclohexen-1-yl]hex-3-yne-2,5-diol

Systemtic Name: (2S)-5-methyl-1-[(3S,6R)-6-methyl-3-propan-2-yl-cyclohexen-1-yl]hex-3-yne-2,5-diol Openeye Name: (2S)-1-[(3S,6R)-3-isopropyl-6-methyl-cyclohexen-1-yl]-5-methyl-hex-3-yne-2,5-diol CAS Name: (2S)-5-methyl-1-[(3S,6R)-6-methyl-3-propan-2-yl-1-cyclohexenyl]-3-hexyne-2,5-diol IUPAC Name: (2S)-5-methyl-1-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]hex-3-yne-2,5-diol Traditional Name: (2S)-1-[(3S,6R)-3-isopropyl-6-methyl-cyclohexen-1-yl]-5-methyl-hex-3-yne-2,5-diol Formula: C17H28O2 MolecularWeight: 264.40302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C=C1CC(C#CC(C)(C)O)O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](C=C1C[C@@H](C#CC(C)(C)O)O)C(C)C

InChI

InChI=1S/C17H28O2/c1-12(2)14-7-6-13(3)15(10-14)11-16(18)8-9-17(4,5)19/h10,12-14,16,18-19H,6-7,11H2,1-5H3/t13-,14-,16-/m1/s1