3-[(E)-3-oxidanylidenebut-1-enyl]isochromen-1-one

Systemtic Name: 3-[(E)-3-oxidanylidenebut-1-enyl]isochromen-1-one Openeye Name: 3-[(E)-3-oxobut-1-enyl]isochromen-1-one CAS Name: 3-[(E)-3-oxobut-1-enyl]-2-benzopyran-1-one IUPAC Name: 3-[(E)-3-oxobut-1-enyl]isochromen-1-one Traditional Name: 3-[(E)-3-ketobut-1-enyl]isocoumarin Formula: C13H10O3 MolecularWeight: 214.2167

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC2=CC=CC=C2C(=O)O1

Isomeric SMILES

CC(=O)/C=C/C1=CC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C13H10O3/c1-9(14)6-7-11-8-10-4-2-3-5-12(10)13(15)16-11/h2-8H,1H3/b7-6+