19-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-19-(18-oxidanyl-18-oxidanylidene-octadecyl)heptatriacontanedioic acid

Systemtic Name: 19-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-19-(18-oxidanyl-18-oxidanylidene-octadecyl)heptatriacontanedioic acid Openeye Name: 19-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-19-(18-hydroxy-18-oxo-octadecyl)heptatriacontanedioic acid CAS Name: 19-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-19-(18-hydroxy-18-oxooctadecyl)heptatriacontanedioic acid IUPAC Name: 19-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-19-(18-hydroxy-18-oxooctadecyl)heptatriacontanedioic acid Traditional Name: 19-(3-hydroxy-2,2-dimethylol-propyl)-19-(18-hydroxy-18-keto-octadecyl)heptatriacontanedioic acid Formula: C60H116O9 MolecularWeight: 981.55764

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCC(=O)O)CCCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCCCCCC(=O)O)CC(CO)(CO)CO

Isomeric SMILES

C(CCCCCCCCC(=O)O)CCCCCCCCC(CCCCCCCCCCCCCCCCCC(=O)O)(CCCCCCCCCCCCCCCCCC(=O)O)CC(CO)(CO)CO

InChI

InChI=1S/C60H116O9/c61-53-60(54-62,55-63)52-59(49-43-37-31-25-19-13-7-1-4-10-16-22-28-34-40-46-56(64)65,50-44-38-32-26-20-14-8-2-5-11-17-23-29-35-41-47-57(66)67)51-45-39-33-27-21-15-9-3-6-12-18-24-30-36-42-48-58(68)69/h61-63H,1-55H2,(H,64,65)(H,66,67)(H,68,69)