5-(1,3-benzodioxol-5-yl)-3-methyl-pent-1-yn-3-ol

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-methyl-pent-1-yn-3-ol Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-methyl-pent-1-yn-3-ol CAS Name: 5-(1,3-benzodioxol-5-yl)-3-methyl-1-pentyn-3-ol IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-methylpent-1-yn-3-ol Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-methyl-pent-1-yn-3-ol Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC2=C(C=C1)OCO2)(C#C)O

Isomeric SMILES

CC(CCC1=CC2=C(C=C1)OCO2)(C#C)O

InChI

InChI=1S/C13H14O3/c1-3-13(2,14)7-6-10-4-5-11-12(8-10)16-9-15-11/h1,4-5,8,14H,6-7,9H2,2H3