2,2-bis(2-ethylhexyl)decanedioic acid; dioctyl decanedioate

Systemtic Name: 2,2-bis(2-ethylhexyl)decanedioic acid; dioctyl decanedioate Openeye Name: 2,2-bis(2-ethylhexyl)decanedioic acid; dioctyl decanedioate CAS Name: 2,2-bis(2-ethylhexyl)decanedioic acid; decanedioic acid dioctyl ester IUPAC Name: 2,2-bis(2-ethylhexyl)decanedioic acid; dioctyl decanedioate Traditional Name: 2,2-bis(2-ethylhexyl)sebacic acid; sebacic acid dioctyl ester Formula: C52H100O8 MolecularWeight: 853.3456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC.CCCCC(CC)CC(CCCCCCCC(=O)O)(CC(CC)CCCC)C(=O)O

Isomeric SMILES

CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC.CCCCC(CC)CC(CCCCCCCC(=O)O)(CC(CC)CCCC)C(=O)O

InChI

InChI=1S/2C26H50O4/c1-5-9-16-22(7-3)20-26(25(29)30,21-23(8-4)17-10-6-2)19-15-13-11-12-14-18-24(27)28;1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2/h22-23H,5-21H2,1-4H3,(H,27,28)(H,29,30);3-24H2,1-2H3