methyl 2-[(1S,3R)-1-methyl-1-oxidanyl-5,8-bis(oxidanylidene)-3,4-dihydroisochromen-3-yl]ethanoate

Systemtic Name: methyl 2-[(1S,3R)-1-methyl-1-oxidanyl-5,8-bis(oxidanylidene)-3,4-dihydroisochromen-3-yl]ethanoate Openeye Name: methyl 2-[(1S,3R)-1-hydroxy-1-methyl-5,8-dioxo-3,4-dihydroisochromen-3-yl]acetate CAS Name: 2-[(1S,3R)-1-hydroxy-1-methyl-5,8-dioxo-3,4-dihydro-2-benzopyran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1S,3R)-1-hydroxy-1-methyl-5,8-dioxo-3,4-dihydroisochromen-3-yl]acetate Traditional Name: 2-[(1S,3R)-1-hydroxy-5,8-diketo-1-methyl-3,4-dihydroisochromen-3-yl]acetic acid methyl ester Formula: C13H14O6 MolecularWeight: 266.24666

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(CC(O1)CC(=O)OC)C(=O)C=CC2=O)O

Isomeric SMILES

C[C@]1(C2=C(C[C@@H](O1)CC(=O)OC)C(=O)C=CC2=O)O

InChI

InChI=1S/C13H14O6/c1-13(17)12-8(9(14)3-4-10(12)15)5-7(19-13)6-11(16)18-2/h3-4,7,17H,5-6H2,1-2H3/t7-,13+/m1/s1