tripotassium; 2,3-bis(oxidanyl)propyl (E)-octadec-9-enoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tripotassium; 2,3-bis(oxidanyl)propyl (E)-octadec-9-enoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tripotassium 2,3-dihydroxypropyl (E)-octadec-9-enoate citrate CAS Name: tripotassium; 2-hydroxypropane-1,2,3-tricarboxylate; (E)-9-octadecenoic acid 2,3-dihydroxypropyl ester IUPAC Name: tripotassium; 2,3-dihydroxypropyl (E)-octadec-9-enoate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: tripotassium (E)-octadec-9-enoic acid glyceryl ester citrate Formula: C69H125K3O19 MolecularWeight: 1376.0143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O.CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O.CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[K+].[K+].[K+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)CO.CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)CO.CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)CO.C(C(O)(C(=O)[O-])CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+]

InChI

InChI=1S/3C21H40O4.C6H8O7.3K/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h3*9-10,20,22-23H,2-8,11-19H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;;;3*+1/p-3/b3*10-9+;;;;