2-[4-methyl-2,5-bis(oxidanyl)-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-3-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2,5-bis(oxidanyl)-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-3-yl]ethanoic acid Openeye Name: 2-(2,5-dihydroxy-4-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-3-yl)acetic acid CAS Name: 2-(2,5-dihydroxy-4-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-3-yl)acetic acid IUPAC Name: 2-(2,5-dihydroxy-4-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-3-yl)acetic acid Traditional Name: 2-(2,5-dihydroxy-7-keto-4-methyl-5,6,8,8a-tetrahydrochromen-3-yl)acetic acid Formula: C12H14O6 MolecularWeight: 254.23596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(CC(=O)CC2OC(=C1CC(=O)O)O)O

Isomeric SMILES

CC1=C2C(CC(=O)CC2OC(=C1CC(=O)O)O)O

InChI

InChI=1S/C12H14O6/c1-5-7(4-10(15)16)12(17)18-9-3-6(13)2-8(14)11(5)9/h8-9,14,17H,2-4H2,1H3,(H,15,16)