6,8-bis(oxidanyl)-3-(2-oxidanylpropyl)isochromen-1-one

Systemtic Name: 6,8-bis(oxidanyl)-3-(2-oxidanylpropyl)isochromen-1-one Openeye Name: 6,8-dihydroxy-3-(2-hydroxypropyl)isochromen-1-one CAS Name: 6,8-dihydroxy-3-(2-hydroxypropyl)-2-benzopyran-1-one IUPAC Name: 6,8-dihydroxy-3-(2-hydroxypropyl)isochromen-1-one Traditional Name: 6,8-dihydroxy-3-(2-hydroxypropyl)isocoumarin Formula: C12H12O5 MolecularWeight: 236.22068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O5/c1-6(13)2-9-4-7-3-8(14)5-10(15)11(7)12(16)17-9/h3-6,13-15H,2H2,1H3