12-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-12-(11-oxidanidyl-11-oxidanylidene-undecyl)tricosanedioate

Systemtic Name: 12-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-12-(11-oxidanidyl-11-oxidanylidene-undecyl)tricosanedioate Openeye Name: 12-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-12-(11-oxido-11-oxo-undecyl)tricosanedioate CAS Name: 12-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-12-(11-oxido-11-oxoundecyl)tricosanedioate IUPAC Name: 12-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-12-(11-oxido-11-oxoundecyl)tricosanedioate Traditional Name: 12-(3-hydroxy-2,2-dimethylol-propyl)-12-(11-keto-11-oxido-undecyl)tricosanedioate Formula: C39H71O9-3 MolecularWeight: 683.97564

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCC(CCCCCCCCCCC(=O)[O-])(CCCCCCCCCCC(=O)[O-])CC(CO)(CO)CO)CCCCC(=O)[O-]

Isomeric SMILES

C(CCCCCC(CCCCCCCCCCC(=O)[O-])(CCCCCCCCCCC(=O)[O-])CC(CO)(CO)CO)CCCCC(=O)[O-]

InChI

InChI=1S/C39H74O9/c40-32-39(33-41,34-42)31-38(28-22-16-10-4-1-7-13-19-25-35(43)44,29-23-17-11-5-2-8-14-20-26-36(45)46)30-24-18-12-6-3-9-15-21-27-37(47)48/h40-42H,1-34H2,(H,43,44)(H,45,46)(H,47,48)/p-3