2-ethyl-2-(hydroxymethyl)propane-1,3-diol; (Z)-12-oxidanyloctadec-9-enoic acid

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; (Z)-12-oxidanyloctadec-9-enoic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; (Z)-12-hydroxyoctadec-9-enoic acid CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; (Z)-12-hydroxy-9-octadecenoic acid IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; (Z)-12-hydroxyoctadec-9-enoic acid Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; (Z)-12-hydroxyoctadec-9-enoic acid Formula: C24H48O6 MolecularWeight: 432.63432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)O.CCC(CO)(CO)CO

Isomeric SMILES

CCCCCCC(C/C=C\CCCCCCCC(=O)O)O.CCC(CO)(CO)CO

InChI

InChI=1S/C18H34O3.C6H14O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-2-6(3-7,4-8)5-9/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);7-9H,2-5H2,1H3/b12-9-;