2-(7-methoxy-6,6-dimethyl-7-oxidanylidene-heptyl)propanedioic acid

Systemtic Name: 2-(7-methoxy-6,6-dimethyl-7-oxidanylidene-heptyl)propanedioic acid Openeye Name: 2-(7-methoxy-6,6-dimethyl-7-oxo-heptyl)propanedioic acid CAS Name: 2-(7-methoxy-6,6-dimethyl-7-oxoheptyl)propanedioic acid IUPAC Name: 2-(7-methoxy-6,6-dimethyl-7-oxoheptyl)propanedioic acid Traditional Name: 2-(7-keto-7-methoxy-6,6-dimethyl-heptyl)malonic acid Formula: C13H22O6 MolecularWeight: 274.31018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCC(C(=O)O)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)(CCCCCC(C(=O)O)C(=O)O)C(=O)OC

InChI

InChI=1S/C13H22O6/c1-13(2,12(18)19-3)8-6-4-5-7-9(10(14)15)11(16)17/h9H,4-8H2,1-3H3,(H,14,15)(H,16,17)