2,3-bis(3,5,5-trimethylhexyl)terephthalate

Systemtic Name: 2,3-bis(3,5,5-trimethylhexyl)terephthalate Openeye Name: 2,3-bis(3,5,5-trimethylhexyl)terephthalate CAS Name: 2,3-bis(3,5,5-trimethylhexyl)terephthalate IUPAC Name: 2,3-bis(3,5,5-trimethylhexyl)terephthalate Traditional Name: 2,3-bis(3,5,5-trimethylhexyl)terephthalate Formula: C26H40O4-2 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=CC(=C1CCC(C)CC(C)(C)C)C(=O)[O-])C(=O)[O-])CC(C)(C)C

Isomeric SMILES

CC(CCC1=C(C=CC(=C1CCC(C)CC(C)(C)C)C(=O)[O-])C(=O)[O-])CC(C)(C)C

InChI

InChI=1S/C26H42O4/c1-17(15-25(3,4)5)9-11-19-20(12-10-18(2)16-26(6,7)8)22(24(29)30)14-13-21(19)23(27)28/h13-14,17-18H,9-12,15-16H2,1-8H3,(H,27,28)(H,29,30)/p-2