(1R,2S)-2-ethynyl-1-phenyl-heptan-1-ol

Systemtic Name: (1R,2S)-2-ethynyl-1-phenyl-heptan-1-ol Openeye Name: (1R,2S)-2-ethynyl-1-phenyl-heptan-1-ol CAS Name: (1R,2S)-2-ethynyl-1-phenyl-1-heptanol IUPAC Name: (1R,2S)-2-ethynyl-1-phenylheptan-1-ol Traditional Name: (1R,2S)-2-amyl-1-phenyl-but-3-yn-1-ol Formula: C15H20O MolecularWeight: 216.3187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O/c1-3-5-7-10-13(4-2)15(16)14-11-8-6-9-12-14/h2,6,8-9,11-13,15-16H,3,5,7,10H2,1H3/t13-,15-/m1/s1