9-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]carbonyl-9-hexadecyl-nonadecanedioic acid

Systemtic Name: 9-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]carbonyl-9-hexadecyl-nonadecanedioic acid Openeye Name: 9-hexadecyl-9-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]carbonyl-nonadecanedioic acid CAS Name: 9-hexadecyl-9-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-oxomethyl]nonadecanedioic acid IUPAC Name: 9-hexadecyl-9-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]carbonylnonadecanedioic acid Traditional Name: 9-cetyl-9-(3-hydroxy-2,2-dimethylol-propoxy)carbonyl-nonadecanedioic acid Formula: C41H78O9 MolecularWeight: 715.05262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCC(=O)O)(CCCCCCCC(=O)O)C(=O)OCC(CO)(CO)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCC(=O)O)(CCCCCCCC(=O)O)C(=O)OCC(CO)(CO)CO

InChI

InChI=1S/C41H78O9/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-25-30-41(32-27-22-17-19-24-29-38(47)48,39(49)50-36-40(33-42,34-43)35-44)31-26-21-16-13-14-18-23-28-37(45)46/h42-44H,2-36H2,1H3,(H,45,46)(H,47,48)