3-(13-methoxy-12,12-dimethyl-13-oxidanylidene-tridecyl)-3-oxidanyl-pentanedioic acid

Systemtic Name: 3-(13-methoxy-12,12-dimethyl-13-oxidanylidene-tridecyl)-3-oxidanyl-pentanedioic acid Openeye Name: 3-hydroxy-3-(13-methoxy-12,12-dimethyl-13-oxo-tridecyl)pentanedioic acid CAS Name: 3-hydroxy-3-(13-methoxy-12,12-dimethyl-13-oxotridecyl)pentanedioic acid IUPAC Name: 3-hydroxy-3-(13-methoxy-12,12-dimethyl-13-oxotridecyl)pentanedioic acid Traditional Name: 3-hydroxy-3-(13-keto-13-methoxy-12,12-dimethyl-tridecyl)glutaric acid Formula: C21H38O7 MolecularWeight: 402.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCCCCCCCC(CC(=O)O)(CC(=O)O)O)C(=O)OC

Isomeric SMILES

CC(C)(CCCCCCCCCCCC(CC(=O)O)(CC(=O)O)O)C(=O)OC

InChI

InChI=1S/C21H38O7/c1-20(2,19(26)28-3)13-11-9-7-5-4-6-8-10-12-14-21(27,15-17(22)23)16-18(24)25/h27H,4-16H2,1-3H3,(H,22,23)(H,24,25)