7-(3-ethynylphenyl)-2-methyl-heptan-2-ol

Systemtic Name: 7-(3-ethynylphenyl)-2-methyl-heptan-2-ol Openeye Name: 7-(3-ethynylphenyl)-2-methyl-heptan-2-ol CAS Name: 7-(3-ethynylphenyl)-2-methyl-2-heptanol IUPAC Name: 7-(3-ethynylphenyl)-2-methylheptan-2-ol Traditional Name: 7-(3-ethynylphenyl)-2-methyl-heptan-2-ol Formula: C16H22O MolecularWeight: 230.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCC1=CC=CC(=C1)C#C)O

Isomeric SMILES

CC(C)(CCCCCC1=CC=CC(=C1)C#C)O

InChI

InChI=1S/C16H22O/c1-4-14-10-8-11-15(13-14)9-6-5-7-12-16(2,3)17/h1,8,10-11,13,17H,5-7,9,12H2,2-3H3