1,3-bis(oxidanyl)propan-2-yl (E)-12-oxidanyloctadec-9-enoate; (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl (E)-12-oxidanyloctadec-9-enoate; (E)-12-oxidanyloctadec-9-enoate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] (E)-12-hydroxyoctadec-9-enoate; (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoate; (E)-12-hydroxy-9-octadecenoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl (E)-12-hydroxyoctadec-9-enoate; (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoate; (E)-12-hydroxyoctadec-9-enoic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C39H73O8- MolecularWeight: 669.99212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40O5.C18H34O3/c1-2-3-4-11-14-19(24)15-12-9-7-5-6-8-10-13-16-21(25)26-20(17-22)18-23;1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3;9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/p-1/b2*12-9+