2-(hydroxymethyl)-2-methyl-propane-1,3-diol; (E)-octadec-9-enoic acid

Systemtic Name: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; (E)-octadec-9-enoic acid Openeye Name: 2-(hydroxymethyl)-2-methyl-propane-1,3-diol; (E)-octadec-9-enoic acid CAS Name: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; (E)-9-octadecenoic acid IUPAC Name: 2-(hydroxymethyl)-2-methylpropane-1,3-diol; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; 2-methyl-2-methylol-propane-1,3-diol Formula: C59H114O9 MolecularWeight: 967.53106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCCCCC(=O)O.CC(CO)(CO)CO

InChI

InChI=1S/3C18H34O2.C5H12O3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-5(2-6,3-7)4-8/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);6-8H,2-4H2,1H3/b3*10-9+;