4-ethanoyl-3-methyl-7-oxidanyl-isochromen-1-one

Systemtic Name: 4-ethanoyl-3-methyl-7-oxidanyl-isochromen-1-one Openeye Name: 4-acetyl-7-hydroxy-3-methyl-isochromen-1-one CAS Name: 4-acetyl-7-hydroxy-3-methyl-2-benzopyran-1-one IUPAC Name: 4-acetyl-7-hydroxy-3-methylisochromen-1-one Traditional Name: 4-acetyl-7-hydroxy-3-methyl-isocoumarin Formula: C12H10O4 MolecularWeight: 218.2054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2)O)C(=O)O1)C(=O)C

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2)O)C(=O)O1)C(=O)C

InChI

InChI=1S/C12H10O4/c1-6(13)11-7(2)16-12(15)10-5-8(14)3-4-9(10)11/h3-5,14H,1-2H3