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

Systemtic Name: 3-[3,3-bis(chloranyl)-2-oxidanyl-propyl]-6,8-dimethoxy-isochromen-1-one Openeye Name: 3-(3,3-dichloro-2-hydroxy-propyl)-6,8-dimethoxy-isochromen-1-one CAS Name: 3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxy-2-benzopyran-1-one IUPAC Name: 3-(3,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one Traditional Name: 3-(3,3-dichloro-2-hydroxy-propyl)-6,8-dimethoxy-isocoumarin Formula: C14H14Cl2O5 MolecularWeight: 333.16396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14Cl2O5/c1-19-8-3-7-4-9(5-10(17)13(15)16)21-14(18)12(7)11(6-8)20-2/h3-4,6,10,13,17H,5H2,1-2H3