14-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-14-(13-oxidanidyl-13-oxidanylidene-tridecyl)heptacosanedioate

Systemtic Name: 14-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-14-(13-oxidanidyl-13-oxidanylidene-tridecyl)heptacosanedioate Openeye Name: 14-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-14-(13-oxido-13-oxo-tridecyl)heptacosanedioate CAS Name: 14-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-14-(13-oxido-13-oxotridecyl)heptacosanedioate IUPAC Name: 14-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-14-(13-oxido-13-oxotridecyl)heptacosanedioate Traditional Name: 14-(3-hydroxy-2,2-dimethylol-propyl)-14-(13-keto-13-oxido-tridecyl)heptacosanedioate Formula: C45H83O9-3 MolecularWeight: 768.13512

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCC(CCCCCCCCCCCCC(=O)[O-])(CCCCCCCCCCCCC(=O)[O-])CC(CO)(CO)CO)CCCCCC(=O)[O-]

Isomeric SMILES

C(CCCCCCC(CCCCCCCCCCCCC(=O)[O-])(CCCCCCCCCCCCC(=O)[O-])CC(CO)(CO)CO)CCCCCC(=O)[O-]

InChI

InChI=1S/C45H86O9/c46-38-45(39-47,40-48)37-44(34-28-22-16-10-4-1-7-13-19-25-31-41(49)50,35-29-23-17-11-5-2-8-14-20-26-32-42(51)52)36-30-24-18-12-6-3-9-15-21-27-33-43(53)54/h46-48H,1-40H2,(H,49,50)(H,51,52)(H,53,54)/p-3