2-[[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; octadecanoic acid

Systemtic Name: 2-[[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; octadecanoic acid Openeye Name: 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; stearic acid CAS Name: 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; octadecanoic acid IUPAC Name: 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol; octadecanoic acid Traditional Name: 2-[(3-hydroxy-2,2-dimethylol-propoxy)methyl]-2-methylol-propane-1,3-diol; stearic acid Formula: C28H58O9 MolecularWeight: 538.75472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.C(C(CO)(CO)COCC(CO)(CO)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.C(C(CO)(CO)COCC(CO)(CO)CO)O

InChI

InChI=1S/C18H36O2.C10H22O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h2-17H2,1H3,(H,19,20);11-16H,1-8H2