7-hept-5-ynyl-5-(hydroxymethyl)-3H-2-benzofuran-1-one

Systemtic Name: 7-hept-5-ynyl-5-(hydroxymethyl)-3H-2-benzofuran-1-one Openeye Name: 7-hept-5-ynyl-5-(hydroxymethyl)-3H-isobenzofuran-1-one CAS Name: 7-hept-5-ynyl-5-(hydroxymethyl)-3H-isobenzofuran-1-one IUPAC Name: 7-hept-5-ynyl-5-(hydroxymethyl)-3H-2-benzofuran-1-one Traditional Name: 7-hept-5-ynyl-5-methylol-phthalide Formula: C16H18O3 MolecularWeight: 258.31232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCCCCC1=C2C(=CC(=C1)CO)COC2=O

Isomeric SMILES

CC#CCCCCC1=C2C(=CC(=C1)CO)COC2=O

InChI

InChI=1S/C16H18O3/c1-2-3-4-5-6-7-13-8-12(10-17)9-14-11-19-16(18)15(13)14/h8-9,17H,4-7,10-11H2,1H3