2,3-bis(3,3-dimethyl-2-oxidanyl-heptan-2-yl)terephthalic acid

Systemtic Name: 2,3-bis(3,3-dimethyl-2-oxidanyl-heptan-2-yl)terephthalic acid Openeye Name: 2,3-bis(1-hydroxy-1,2,2-trimethyl-hexyl)terephthalic acid CAS Name: 2,3-bis(2-hydroxy-3,3-dimethylheptan-2-yl)terephthalic acid IUPAC Name: 2,3-bis(2-hydroxy-3,3-dimethylheptan-2-yl)terephthalic acid Traditional Name: 2,3-bis(1-hydroxy-1,2,2-trimethyl-hexyl)terephthalic acid Formula: C26H42O6 MolecularWeight: 450.60808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C)(C1=C(C=CC(=C1C(C)(C(C)(C)CCCC)O)C(=O)O)C(=O)O)O

Isomeric SMILES

CCCCC(C)(C)C(C)(C1=C(C=CC(=C1C(C)(C(C)(C)CCCC)O)C(=O)O)C(=O)O)O

InChI

InChI=1S/C26H42O6/c1-9-11-15-23(3,4)25(7,31)19-17(21(27)28)13-14-18(22(29)30)20(19)26(8,32)24(5,6)16-12-10-2/h13-14,31-32H,9-12,15-16H2,1-8H3,(H,27,28)(H,29,30)