3,4-bis(icosoxycarbonyl)benzoic acid

Systemtic Name: 3,4-bis(icosoxycarbonyl)benzoic acid Openeye Name: 3,4-bis(icosoxycarbonyl)benzoic acid CAS Name: 3,4-bis[eicosoxy(oxo)methyl]benzoic acid IUPAC Name: 3,4-bis(icosoxycarbonyl)benzoic acid Traditional Name: 3,4-bis(arachyloxycarbonyl)benzoic acid Formula: C49H86O6 MolecularWeight: 771.20354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H86O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-54-48(52)45-40-39-44(47(50)51)43-46(45)49(53)55-42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40,43H,3-38,41-42H2,1-2H3,(H,50,51)