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

Systemtic Name: 2,4,5-tris(icosoxycarbonyl)benzoic acid Openeye Name: 2,4,5-tris(icosoxycarbonyl)benzoic acid CAS Name: 2,4,5-tris[eicosoxy(oxo)methyl]benzoic acid IUPAC Name: 2,4,5-tris(icosoxycarbonyl)benzoic acid Traditional Name: 2,4,5-tris(arachyloxycarbonyl)benzoic acid Formula: C70H126O8 MolecularWeight: 1095.74464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C70H126O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-76-68(73)64-62-66(70(75)78-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65(61-63(64)67(71)72)69(74)77-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h61-62H,4-60H2,1-3H3,(H,71,72)