2-(7-methoxy-5,5-dimethyl-7-oxidanylidene-heptyl)propanedioic acid

Systemtic Name: 2-(7-methoxy-5,5-dimethyl-7-oxidanylidene-heptyl)propanedioic acid Openeye Name: 2-(7-methoxy-5,5-dimethyl-7-oxo-heptyl)propanedioic acid CAS Name: 2-(7-methoxy-5,5-dimethyl-7-oxoheptyl)propanedioic acid IUPAC Name: 2-(7-methoxy-5,5-dimethyl-7-oxoheptyl)propanedioic acid Traditional Name: 2-(7-keto-7-methoxy-5,5-dimethyl-heptyl)malonic acid Formula: C13H22O6 MolecularWeight: 274.31018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC(C(=O)O)C(=O)O)CC(=O)OC

Isomeric SMILES

CC(C)(CCCCC(C(=O)O)C(=O)O)CC(=O)OC

InChI

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