2,3-bis(oxidanyl)propyl docosanoate; docosanoate

Systemtic Name: 2,3-bis(oxidanyl)propyl docosanoate; docosanoate Openeye Name: 2,3-dihydroxypropyl docosanoate; docosanoate CAS Name: docosanoate; docosanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl docosanoate; docosanoate Traditional Name: behenate; behenic acid glyceryl ester Formula: C47H93O6- MolecularWeight: 754.23772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O

InChI

InChI=1S/C25H50O4.C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h24,26-27H,2-23H2,1H3;2-21H2,1H3,(H,23,24)/p-1