2,2-di(octan-3-yl)decanedioic acid

Systemtic Name: 2,2-di(octan-3-yl)decanedioic acid Openeye Name: 2,2-bis(1-ethylhexyl)decanedioic acid CAS Name: 2,2-di(octan-3-yl)decanedioic acid IUPAC Name: 2,2-di(octan-3-yl)decanedioic acid Traditional Name: 2,2-bis(1-ethylhexyl)sebacic acid Formula: C26H50O4 MolecularWeight: 426.6728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(CCCCCCCC(=O)O)(C(CC)CCCCC)C(=O)O

Isomeric SMILES

CCCCCC(CC)C(CCCCCCCC(=O)O)(C(CC)CCCCC)C(=O)O

InChI

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