3-but-1-ynylisochromen-1-one

Systemtic Name: 3-but-1-ynylisochromen-1-one Openeye Name: 3-but-1-ynylisochromen-1-one CAS Name: 3-but-1-ynyl-2-benzopyran-1-one IUPAC Name: 3-but-1-ynylisochromen-1-one Traditional Name: 3-but-1-ynylisocoumarin Formula: C13H10O2 MolecularWeight: 198.2173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=CC2=CC=CC=C2C(=O)O1

Isomeric SMILES

CCC#CC1=CC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C13H10O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h4-6,8-9H,2H2,1H3