5-chloranyl-6-methoxy-3-methyl-8-oxidanyl-isochromen-1-one

Systemtic Name: 5-chloranyl-6-methoxy-3-methyl-8-oxidanyl-isochromen-1-one Openeye Name: 5-chloro-8-hydroxy-6-methoxy-3-methyl-isochromen-1-one CAS Name: 5-chloro-8-hydroxy-6-methoxy-3-methyl-2-benzopyran-1-one IUPAC Name: 5-chloro-8-hydroxy-6-methoxy-3-methylisochromen-1-one Traditional Name: 5-chloro-8-hydroxy-6-methoxy-3-methyl-isocoumarin Formula: C11H9ClO4 MolecularWeight: 240.63976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=C2Cl)OC)O)C(=O)O1

Isomeric SMILES

CC1=CC2=C(C(=CC(=C2Cl)OC)O)C(=O)O1

InChI

InChI=1S/C11H9ClO4/c1-5-3-6-9(11(14)16-5)7(13)4-8(15-2)10(6)12/h3-4,13H,1-2H3