docosanoate; icosanedioate; propane-1,2,3-triol

Systemtic Name: docosanoate; icosanedioate; propane-1,2,3-triol Openeye Name: docosanoate; glycerol; icosanedioate CAS Name: docosanoate; eicosanedioate; propane-1,2,3-triol IUPAC Name: docosanoate; icosanedioate; propane-1,2,3-triol Traditional Name: behenate; eicosanedioate; glycerol Formula: C45H87O9-3 MolecularWeight: 772.16688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].C(CCCCCCCCCC(=O)[O-])CCCCCCCCC(=O)[O-].C(C(CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].C(CCCCCCCCCC(=O)[O-])CCCCCCCCC(=O)[O-].C(C(CO)O)O

InChI

InChI=1S/C22H44O2.C20H38O4.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24;4-1-3(6)2-5/h2-21H2,1H3,(H,23,24);1-18H2,(H,21,22)(H,23,24);3-6H,1-2H2/p-3