2,2-bis(2-ethylhexyl)hexanedioate; 2,2-dioctylhexanedioic acid

Systemtic Name: 2,2-bis(2-ethylhexyl)hexanedioate; 2,2-dioctylhexanedioic acid Openeye Name: 2,2-bis(2-ethylhexyl)hexanedioate; 2,2-dioctylhexanedioic acid CAS Name: 2,2-bis(2-ethylhexyl)hexanedioate; 2,2-dioctylhexanedioic acid IUPAC Name: 2,2-bis(2-ethylhexyl)hexanedioate; 2,2-dioctylhexanedioic acid Traditional Name: 2,2-bis(2-ethylhexyl)adipate; 2,2-dioctyladipic acid Formula: C44H82O8-2 MolecularWeight: 739.11708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(CCCC(=O)O)C(=O)O.CCCCC(CC)CC(CCCC(=O)[O-])(CC(CC)CCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(CCCC(=O)O)C(=O)O.CCCCC(CC)CC(CCCC(=O)[O-])(CC(CC)CCCC)C(=O)[O-]

InChI

InChI=1S/2C22H42O4/c1-5-9-12-18(7-3)16-22(21(25)26,15-11-14-20(23)24)17-19(8-4)13-10-6-2;1-3-5-7-9-11-13-17-22(21(25)26,19-15-16-20(23)24)18-14-12-10-8-6-4-2/h18-19H,5-17H2,1-4H3,(H,23,24)(H,25,26);3-19H2,1-2H3,(H,23,24)(H,25,26)/p-2