3-[3,3-bis(chloranyl)-2-oxidanyl-propyl]-6-methoxy-8-oxidanyl-isochromen-1-one

Systemtic Name: 3-[3,3-bis(chloranyl)-2-oxidanyl-propyl]-6-methoxy-8-oxidanyl-isochromen-1-one Openeye Name: 3-(3,3-dichloro-2-hydroxy-propyl)-8-hydroxy-6-methoxy-isochromen-1-one CAS Name: 3-(3,3-dichloro-2-hydroxypropyl)-8-hydroxy-6-methoxy-2-benzopyran-1-one IUPAC Name: 3-(3,3-dichloro-2-hydroxypropyl)-8-hydroxy-6-methoxyisochromen-1-one Traditional Name: 3-(3,3-dichloro-2-hydroxy-propyl)-8-hydroxy-6-methoxy-isocoumarin Formula: C13H12Cl2O5 MolecularWeight: 319.13738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(OC2=O)CC(C(Cl)Cl)O)O

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(OC2=O)CC(C(Cl)Cl)O)O

InChI

InChI=1S/C13H12Cl2O5/c1-19-7-2-6-3-8(5-10(17)12(14)15)20-13(18)11(6)9(16)4-7/h2-4,10,12,16-17H,5H2,1H3