2,7,12-trimethyl-7-(5-methyl-6-oxidanyl-6-oxidanylidene-hexyl)tridecanedioic acid

Systemtic Name: 2,7,12-trimethyl-7-(5-methyl-6-oxidanyl-6-oxidanylidene-hexyl)tridecanedioic acid Openeye Name: 7-(6-hydroxy-5-methyl-6-oxo-hexyl)-2,7,12-trimethyl-tridecanedioic acid CAS Name: 7-(6-hydroxy-5-methyl-6-oxohexyl)-2,7,12-trimethyltridecanedioic acid IUPAC Name: 7-(6-hydroxy-5-methyl-6-oxohexyl)-2,7,12-trimethyltridecanedioic acid Traditional Name: 7-(6-hydroxy-6-keto-5-methyl-hexyl)-2,7,12-trimethyl-brassylic acid Formula: C23H42O6 MolecularWeight: 414.57598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42O6/c1-17(20(24)25)11-5-8-14-23(4,15-9-6-12-18(2)21(26)27)16-10-7-13-19(3)22(28)29/h17-19H,5-16H2,1-4H3,(H,24,25)(H,26,27)(H,28,29)