2,2-bis(hydroxymethyl)propane-1,3-diol; (E)-octadec-9-enoate; propane-1,2,3-triol

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; (E)-octadec-9-enoate; propane-1,2,3-triol Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; glycerol; (E)-octadec-9-enoate CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; (E)-9-octadecenoate; propane-1,2,3-triol IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; (E)-octadec-9-enoate; propane-1,2,3-triol Traditional Name: 2,2-dimethylolpropane-1,3-diol; glycerol; (E)-octadec-9-enoate Formula: C26H53O9- MolecularWeight: 509.69362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34O2.C5H12O4.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;6-1-5(2-7,3-8)4-9;4-1-3(6)2-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);6-9H,1-4H2;3-6H,1-2H2/p-1/b10-9+;;