(3S,5S)-5-(furan-3-yl)-6,6-dimethyl-hept-1-yn-3-ol

Systemtic Name: (3S,5S)-5-(furan-3-yl)-6,6-dimethyl-hept-1-yn-3-ol Openeye Name: (3S,5S)-5-(3-furyl)-6,6-dimethyl-hept-1-yn-3-ol CAS Name: (3S,5S)-5-(3-furanyl)-6,6-dimethyl-1-heptyn-3-ol IUPAC Name: (3S,5S)-5-(furan-3-yl)-6,6-dimethylhept-1-yn-3-ol Traditional Name: (3S,5S)-5-(3-furyl)-6,6-dimethyl-hept-1-yn-3-ol Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(C#C)O)C1=COC=C1

Isomeric SMILES

CC(C)(C)[C@H](C[C@@H](C#C)O)C1=COC=C1

InChI

InChI=1S/C13H18O2/c1-5-11(14)8-12(13(2,3)4)10-6-7-15-9-10/h1,6-7,9,11-12,14H,8H2,2-4H3/t11-,12-/m1/s1