3,5,7-trimethyl-3,6,8-tris(oxidanyl)-4H-isochromen-1-one

Systemtic Name: 3,5,7-trimethyl-3,6,8-tris(oxidanyl)-4H-isochromen-1-one Openeye Name: 3,6,8-trihydroxy-3,5,7-trimethyl-isochroman-1-one CAS Name: 3,6,8-trihydroxy-3,5,7-trimethyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3,6,8-trihydroxy-3,5,7-trimethyl-4H-isochromen-1-one Traditional Name: 3,6,8-trihydroxy-3,5,7-trimethyl-isochroman-1-one Formula: C12H14O5 MolecularWeight: 238.23656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O5/c1-5-7-4-12(3,16)17-11(15)8(7)10(14)6(2)9(5)13/h13-14,16H,4H2,1-3H3