2,2-bis(2,2,4-trimethyl-3-oxidanyl-pentyl)hexanedioic acid

Systemtic Name: 2,2-bis(2,2,4-trimethyl-3-oxidanyl-pentyl)hexanedioic acid Openeye Name: 2,2-bis(3-hydroxy-2,2,4-trimethyl-pentyl)hexanedioic acid CAS Name: 2,2-bis(3-hydroxy-2,2,4-trimethylpentyl)hexanedioic acid IUPAC Name: 2,2-bis(3-hydroxy-2,2,4-trimethylpentyl)hexanedioic acid Traditional Name: 2,2-bis(3-hydroxy-2,2,4-trimethyl-pentyl)adipic acid Formula: C22H42O6 MolecularWeight: 402.56528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)(C)CC(CCCC(=O)O)(CC(C)(C)C(C(C)C)O)C(=O)O)O

Isomeric SMILES

CC(C)C(C(C)(C)CC(CCCC(=O)O)(CC(C)(C)C(C(C)C)O)C(=O)O)O

InChI

InChI=1S/C22H42O6/c1-14(2)17(25)20(5,6)12-22(19(27)28,11-9-10-16(23)24)13-21(7,8)18(26)15(3)4/h14-15,17-18,25-26H,9-13H2,1-8H3,(H,23,24)(H,27,28)