2,2-bis(3,5,5-trimethylhexyl)decanedioic acid

Systemtic Name: 2,2-bis(3,5,5-trimethylhexyl)decanedioic acid Openeye Name: 2,2-bis(3,5,5-trimethylhexyl)decanedioic acid CAS Name: 2,2-bis(3,5,5-trimethylhexyl)decanedioic acid IUPAC Name: 2,2-bis(3,5,5-trimethylhexyl)decanedioic acid Traditional Name: 2,2-bis(3,5,5-trimethylhexyl)sebacic acid Formula: C28H54O4 MolecularWeight: 454.72596

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(CCCCCCCC(=O)O)(CCC(C)CC(C)(C)C)C(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CCC(CCCCCCCC(=O)O)(CCC(C)CC(C)(C)C)C(=O)O)CC(C)(C)C

InChI

InChI=1S/C28H54O4/c1-22(20-26(3,4)5)15-18-28(25(31)32,19-16-23(2)21-27(6,7)8)17-13-11-9-10-12-14-24(29)30/h22-23H,9-21H2,1-8H3,(H,29,30)(H,31,32)