2,4,5-tris(octadecoxycarbonyl)benzoic acid

Systemtic Name: 2,4,5-tris(octadecoxycarbonyl)benzoic acid Openeye Name: 2,4,5-tris(octadecoxycarbonyl)benzoic acid CAS Name: 2,4,5-tris[octadecoxy(oxo)methyl]benzoic acid IUPAC Name: 2,4,5-tris(octadecoxycarbonyl)benzoic acid Traditional Name: 2,4,5-tris(stearyloxycarbonyl)benzoic acid Formula: C64H114O8 MolecularWeight: 1011.58516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C64H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-70-62(67)58-56-60(64(69)72-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59(55-57(58)61(65)66)63(68)71-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h55-56H,4-54H2,1-3H3,(H,65,66)