3-[(E)-but-1-enyl]-5-oxidanyl-isochromen-1-one

Systemtic Name: 3-[(E)-but-1-enyl]-5-oxidanyl-isochromen-1-one Openeye Name: 3-[(E)-but-1-enyl]-5-hydroxy-isochromen-1-one CAS Name: 3-[(E)-but-1-enyl]-5-hydroxy-2-benzopyran-1-one IUPAC Name: 3-[(E)-but-1-enyl]-5-hydroxyisochromen-1-one Traditional Name: 3-[(E)-but-1-enyl]-5-hydroxy-isocoumarin Formula: C13H12O3 MolecularWeight: 216.23258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=CC2=C(C=CC=C2O)C(=O)O1

Isomeric SMILES

CC/C=C/C1=CC2=C(C=CC=C2O)C(=O)O1

InChI

InChI=1S/C13H12O3/c1-2-3-5-9-8-11-10(13(15)16-9)6-4-7-12(11)14/h3-8,14H,2H2,1H3/b5-3+