(E)-octadec-9-enoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: (E)-octadec-9-enoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: (E)-octadec-9-enoate citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; (E)-9-octadecenoate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoate citrate Formula: C24H38O9-4 MolecularWeight: 470.55312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C18H34O2.C6H8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-10H,2-8,11-17H2,1H3,(H,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-4/b10-9+;