3-ethynyl-2-methyl-1-phenyl-heptan-2-ol

Systemtic Name: 3-ethynyl-2-methyl-1-phenyl-heptan-2-ol Openeye Name: 3-ethynyl-2-methyl-1-phenyl-heptan-2-ol CAS Name: 3-ethynyl-2-methyl-1-phenyl-2-heptanol IUPAC Name: 3-ethynyl-2-methyl-1-phenylheptan-2-ol Traditional Name: 3-butyl-2-methyl-1-phenyl-pent-4-yn-2-ol Formula: C16H22O MolecularWeight: 230.34528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#C)C(C)(CC1=CC=CC=C1)O

Isomeric SMILES

CCCCC(C#C)C(C)(CC1=CC=CC=C1)O

InChI

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