methyl 3,3-bis(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanoate

Systemtic Name: methyl 3,3-bis(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)propanoate Openeye Name: methyl 3,3-bis(2-hydroxy-6-oxo-cyclohexen-1-yl)propanoate CAS Name: 3,3-bis(2-hydroxy-6-oxo-1-cyclohexenyl)propanoic acid methyl ester IUPAC Name: methyl 3,3-bis(2-hydroxy-6-oxocyclohexen-1-yl)propanoate Traditional Name: 3,3-bis(2-hydroxy-6-keto-cyclohexen-1-yl)propionic acid methyl ester Formula: C16H20O6 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=C(CCCC1=O)O)C2=C(CCCC2=O)O

Isomeric SMILES

COC(=O)CC(C1=C(CCCC1=O)O)C2=C(CCCC2=O)O

InChI

InChI=1S/C16H20O6/c1-22-14(21)8-9(15-10(17)4-2-5-11(15)18)16-12(19)6-3-7-13(16)20/h9,17,19H,2-8H2,1H3