3-[3-(2-carboxyethyl)-4,6,6-trimethyl-2-oxidanylidene-cyclohex-3-en-1-yl]propanoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4,6,6-trimethyl-2-oxidanylidene-cyclohex-3-en-1-yl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4,6,6-trimethyl-2-oxo-cyclohex-3-en-1-yl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-4,6,6-trimethyl-2-oxo-1-cyclohex-3-enyl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4,6,6-trimethyl-2-oxocyclohex-3-en-1-yl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-2-keto-4,6,6-trimethyl-cyclohex-3-en-1-yl]propionic acid Formula: C15H22O5 MolecularWeight: 282.33218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(C(C1)(C)C)CCC(=O)O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)C(C(C1)(C)C)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C15H22O5/c1-9-8-15(2,3)11(5-7-13(18)19)14(20)10(9)4-6-12(16)17/h11H,4-8H2,1-3H3,(H,16,17)(H,18,19)