2,2-bis[2,3-bis(oxidanyl)propyl]octadecanoate; (E)-but-2-enedioic acid

Systemtic Name: 2,2-bis[2,3-bis(oxidanyl)propyl]octadecanoate; (E)-but-2-enedioic acid Openeye Name: 2,2-bis(2,3-dihydroxypropyl)octadecanoate; fumaric acid CAS Name: 2,2-bis(2,3-dihydroxypropyl)octadecanoate; (E)-2-butenedioic acid IUPAC Name: 2,2-bis(2,3-dihydroxypropyl)octadecanoate; (E)-but-2-enedioic acid Traditional Name: 2,2-diglycerylstearate; fumaric acid Formula: C28H51O10- MolecularWeight: 547.69854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(CO)O)(CC(CO)O)C(=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(CO)O)(CC(CO)O)C(=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C24H48O6.C4H4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(23(29)30,17-21(27)19-25)18-22(28)20-26;5-3(6)1-2-4(7)8/h21-22,25-28H,2-20H2,1H3,(H,29,30);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+