(2S,3S)-3-ethynyl-2-phenyl-octan-2-ol

Systemtic Name: (2S,3S)-3-ethynyl-2-phenyl-octan-2-ol Openeye Name: (2S,3S)-3-ethynyl-2-phenyl-octan-2-ol CAS Name: (2S,3S)-3-ethynyl-2-phenyl-2-octanol IUPAC Name: (2S,3S)-3-ethynyl-2-phenyloctan-2-ol Traditional Name: (2S,3S)-3-amyl-2-phenyl-pent-4-yn-2-ol Formula: C16H22O MolecularWeight: 230.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O/c1-4-6-8-11-14(5-2)16(3,17)15-12-9-7-10-13-15/h2,7,9-10,12-14,17H,4,6,8,11H2,1,3H3/t14-,16+/m1/s1