6,8-dimethoxy-3-(2-oxidanyl-4-oxidanylidene-pentyl)isochromen-1-one

Systemtic Name: 6,8-dimethoxy-3-(2-oxidanyl-4-oxidanylidene-pentyl)isochromen-1-one Openeye Name: 3-(2-hydroxy-4-oxo-pentyl)-6,8-dimethoxy-isochromen-1-one CAS Name: 3-(2-hydroxy-4-oxopentyl)-6,8-dimethoxy-2-benzopyran-1-one IUPAC Name: 3-(2-hydroxy-4-oxopentyl)-6,8-dimethoxyisochromen-1-one Traditional Name: 3-(2-hydroxy-4-keto-pentyl)-6,8-dimethoxy-isocoumarin Formula: C16H18O6 MolecularWeight: 306.31052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O6/c1-9(17)4-11(18)7-13-6-10-5-12(20-2)8-14(21-3)15(10)16(19)22-13/h5-6,8,11,18H,4,7H2,1-3H3