1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-yn-1-ol

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-yn-1-ol Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-yn-1-ol CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propyn-1-ol IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-yn-1-ol Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-yn-1-ol Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C1=CC2=C(C=C1)OCCCO2)O

Isomeric SMILES

C#CC(C1=CC2=C(C=C1)OCCCO2)O

InChI

InChI=1S/C12H12O3/c1-2-10(13)9-4-5-11-12(8-9)15-7-3-6-14-11/h1,4-5,8,10,13H,3,6-7H2