3-[3-(2-carboxyethyl)-6,6-dimethyl-4-oxidanylidene-oxan-3-yl]propanoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-6,6-dimethyl-4-oxidanylidene-oxan-3-yl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-6,6-dimethyl-4-oxo-tetrahydropyran-3-yl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-6,6-dimethyl-4-oxo-3-oxanyl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-6,6-dimethyl-4-oxooxan-3-yl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-keto-6,6-dimethyl-tetrahydropyran-3-yl]propionic acid Formula: C13H20O6 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(CO1)(CCC(=O)O)CCC(=O)O)C

Isomeric SMILES

CC1(CC(=O)C(CO1)(CCC(=O)O)CCC(=O)O)C

InChI

InChI=1S/C13H20O6/c1-12(2)7-9(14)13(8-19-12,5-3-10(15)16)6-4-11(17)18/h3-8H2,1-2H3,(H,15,16)(H,17,18)