3,5-dimethyl-3,6,8-tris(oxidanyl)-4H-isochromen-1-one

Systemtic Name: 3,5-dimethyl-3,6,8-tris(oxidanyl)-4H-isochromen-1-one Openeye Name: 3,6,8-trihydroxy-3,5-dimethyl-isochroman-1-one CAS Name: 3,6,8-trihydroxy-3,5-dimethyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3,6,8-trihydroxy-3,5-dimethyl-4H-isochromen-1-one Traditional Name: 3,6,8-trihydroxy-3,5-dimethyl-isochroman-1-one Formula: C11H12O5 MolecularWeight: 224.20998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1CC(OC2=O)(C)O)O)O

Isomeric SMILES

CC1=C(C=C(C2=C1CC(OC2=O)(C)O)O)O

InChI

InChI=1S/C11H12O5/c1-5-6-4-11(2,15)16-10(14)9(6)8(13)3-7(5)12/h3,12-13,15H,4H2,1-2H3