9-[2,2-bis(hydroxymethyl)-3-(6-oxidanyl-6-oxidanylidene-hexanoyl)oxy-propoxy]carbonyl-9-hexadecyl-nonadecanedioic acid

Systemtic Name: 9-[2,2-bis(hydroxymethyl)-3-(6-oxidanyl-6-oxidanylidene-hexanoyl)oxy-propoxy]carbonyl-9-hexadecyl-nonadecanedioic acid Openeye Name: 9-[2,2-bis(hydroxymethyl)-3-(6-hydroxy-6-oxo-hexanoyl)oxy-propoxy]carbonyl-9-hexadecyl-nonadecanedioic acid CAS Name: 9-hexadecyl-9-[[3-hydroxy-2-[(6-hydroxy-1,6-dioxohexoxy)methyl]-2-(hydroxymethyl)propoxy]-oxomethyl]nonadecanedioic acid IUPAC Name: 9-[2,2-bis(hydroxymethyl)-3-(6-hydroxy-6-oxohexanoyl)oxypropoxy]carbonyl-9-hexadecylnonadecanedioic acid Traditional Name: 9-cetyl-9-[3-hydroxy-2-[(6-hydroxy-6-keto-hexanoyl)oxymethyl]-2-methylol-propoxy]carbonyl-nonadecanedioic acid Formula: C47H86O12 MolecularWeight: 843.17854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H86O12/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-27-34-47(36-29-22-17-19-24-31-42(52)53,35-28-21-16-13-14-18-23-30-41(50)51)45(57)59-40-46(37-48,38-49)39-58-44(56)33-26-25-32-43(54)55/h48-49H,2-40H2,1H3,(H,50,51)(H,52,53)(H,54,55)