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

Systemtic Name: 12-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-12-(11-oxidanyl-11-oxidanylidene-undecyl)tricosanedioic acid Openeye Name: 12-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-12-(11-hydroxy-11-oxo-undecyl)tricosanedioic acid CAS Name: 12-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-12-(11-hydroxy-11-oxoundecyl)tricosanedioic acid IUPAC Name: 12-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-12-(11-hydroxy-11-oxoundecyl)tricosanedioic acid Traditional Name: 12-(3-hydroxy-2,2-dimethylol-propyl)-12-(11-hydroxy-11-keto-undecyl)tricosanedioic acid Formula: C39H74O9 MolecularWeight: 686.99946

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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)