(E)-12-oxidanyloctadec-9-enoic acid; 1-oxidanylpropan-2-olate

Systemtic Name: (E)-12-oxidanyloctadec-9-enoic acid; 1-oxidanylpropan-2-olate Openeye Name: (E)-12-hydroxyoctadec-9-enoic acid; 1-hydroxypropan-2-olate CAS Name: (E)-12-hydroxy-9-octadecenoic acid; 1-hydroxy-2-propanolate IUPAC Name: (E)-12-hydroxyoctadec-9-enoic acid; 1-hydroxypropan-2-olate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid; 1-hydroxypropan-2-olate Formula: C21H41O5- MolecularWeight: 373.54724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)O.CC(CO)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H34O3.C3H7O2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-3(5)2-4/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);3-4H,2H2,1H3/q;-1/b12-9+;