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

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; (E)-octadec-2-enoic acid Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; (E)-octadec-2-enoic acid CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; (E)-2-octadecenoic acid IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; (E)-octadec-2-enoic acid Traditional Name: 2,2-dimethylolpropane-1,3-diol; (E)-octadec-2-enoic acid Formula: C23H46O6 MolecularWeight: 418.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC(=O)O.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/C(=O)O.C(C(CO)(CO)CO)O

InChI

InChI=1S/C18H34O2.C5H12O4/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/h16-17H,2-15H2,1H3,(H,19,20);6-9H,1-4H2/b17-16+;