diundecyl 4-[[3,4-bis(undecoxycarbonyl)phenyl]-oxidanyl-methyl]benzene-1,2-dicarboxylate

Systemtic Name: diundecyl 4-[[3,4-bis(undecoxycarbonyl)phenyl]-oxidanyl-methyl]benzene-1,2-dicarboxylate Openeye Name: diundecyl 4-[[3,4-bis(undecoxycarbonyl)phenyl]-hydroxy-methyl]benzene-1,2-dicarboxylate CAS Name: 4-[[3,4-bis[oxo(undecoxy)methyl]phenyl]-hydroxymethyl]benzene-1,2-dicarboxylic acid diundecyl ester IUPAC Name: diundecyl 4-[[3,4-bis(undecoxycarbonyl)phenyl]-hydroxymethyl]benzene-1,2-dicarboxylate Traditional Name: 4-[[3,4-bis(undecoxycarbonyl)phenyl]-hydroxy-methyl]benzene-1,2-dicarboxylic acid diundecyl ester Formula: C61H100O9 MolecularWeight: 977.4413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C(=O)OCCCCCCCCCCC)C(=O)OCCCCCCCCCCC)O)C(=O)OCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C(=O)OCCCCCCCCCCC)C(=O)OCCCCCCCCCCC)O)C(=O)OCCCCCCCCCCC

InChI

InChI=1S/C61H100O9/c1-5-9-13-17-21-25-29-33-37-45-67-58(63)53-43-41-51(49-55(53)60(65)69-47-39-35-31-27-23-19-15-11-7-3)57(62)52-42-44-54(59(64)68-46-38-34-30-26-22-18-14-10-6-2)56(50-52)61(66)70-48-40-36-32-28-24-20-16-12-8-4/h41-44,49-50,57,62H,5-40,45-48H2,1-4H3