17-dodecyl-17-(17-tetradecyltetratriacontan-17-yloxycarbonyl)pentatriacontanedioic acid

Systemtic Name: 17-dodecyl-17-(17-tetradecyltetratriacontan-17-yloxycarbonyl)pentatriacontanedioic acid Openeye Name: 17-dodecyl-17-(1-hexadecyl-1-tetradecyl-octadecoxy)carbonyl-pentatriacontanedioic acid CAS Name: 17-dodecyl-17-[oxo(17-tetradecyltetratriacontan-17-yloxy)methyl]pentatriacontanedioic acid IUPAC Name: 17-dodecyl-17-(17-tetradecyltetratriacontan-17-yloxycarbonyl)pentatriacontanedioic acid Traditional Name: 17-(1-cetyl-1-myristyl-octadecoxy)carbonyl-17-lauryl-pentatriacontanedioic acid Formula: C96H188O6 MolecularWeight: 1438.51632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)OC(=O)C(CCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCC)OC(=O)C(CCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C96H188O6/c1-5-9-13-17-21-25-29-32-36-44-51-59-67-75-83-91-96(89-81-73-65-57-49-31-27-23-19-15-11-7-3,90-82-74-66-58-50-43-33-30-26-22-18-14-10-6-2)102-94(101)95(86-78-70-62-54-28-24-20-16-12-8-4,88-80-72-64-56-48-42-38-40-46-53-61-69-77-85-93(99)100)87-79-71-63-55-47-41-37-34-35-39-45-52-60-68-76-84-92(97)98/h5-91H2,1-4H3,(H,97,98)(H,99,100)