1-(2-hept-1-ynyl-3-methyl-phenyl)but-3-yn-1-ol

Systemtic Name: 1-(2-hept-1-ynyl-3-methyl-phenyl)but-3-yn-1-ol Openeye Name: 1-(2-hept-1-ynyl-3-methyl-phenyl)but-3-yn-1-ol CAS Name: 1-(2-hept-1-ynyl-3-methylphenyl)-3-butyn-1-ol IUPAC Name: 1-(2-hept-1-ynyl-3-methylphenyl)but-3-yn-1-ol Traditional Name: 1-(2-hept-1-ynyl-3-methyl-phenyl)but-3-yn-1-ol Formula: C18H22O MolecularWeight: 254.36668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=C(C=CC=C1C(CC#C)O)C

Isomeric SMILES

CCCCCC#CC1=C(C=CC=C1C(CC#C)O)C

InChI

InChI=1S/C18H22O/c1-4-6-7-8-9-13-16-15(3)12-10-14-17(16)18(19)11-5-2/h2,10,12,14,18-19H,4,6-8,11H2,1,3H3