1-(6-hept-1-ynyl-1,3-benzodioxol-5-yl)but-3-yn-1-ol

Systemtic Name: 1-(6-hept-1-ynyl-1,3-benzodioxol-5-yl)but-3-yn-1-ol Openeye Name: 1-(6-hept-1-ynyl-1,3-benzodioxol-5-yl)but-3-yn-1-ol CAS Name: 1-(6-hept-1-ynyl-1,3-benzodioxol-5-yl)-3-butyn-1-ol IUPAC Name: 1-(6-hept-1-ynyl-1,3-benzodioxol-5-yl)but-3-yn-1-ol Traditional Name: 1-(6-hept-1-ynyl-1,3-benzodioxol-5-yl)but-3-yn-1-ol Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=CC2=C(C=C1C(CC#C)O)OCO2

Isomeric SMILES

CCCCCC#CC1=CC2=C(C=C1C(CC#C)O)OCO2

InChI

InChI=1S/C18H20O3/c1-3-5-6-7-8-10-14-11-17-18(21-13-20-17)12-15(14)16(19)9-4-2/h2,11-12,16,19H,3,5-7,9,13H2,1H3