ditricosan-11-yl benzene-1,2-dicarboxylate

Systemtic Name: ditricosan-11-yl benzene-1,2-dicarboxylate Openeye Name: bis(1-decyltridecyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid ditricosan-11-yl ester IUPAC Name: ditricosan-11-yl benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(1-decyltridecyl) ester Formula: C54H98O4 MolecularWeight: 811.35352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)OC(CCCCCCCCCC)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCC)OC(=O)C1=CC=CC=C1C(=O)OC(CCCCCCCCCC)CCCCCCCCCCCC

InChI

InChI=1S/C54H98O4/c1-5-9-13-17-21-25-27-31-35-39-45-49(43-37-33-29-23-19-15-11-7-3)57-53(55)51-47-41-42-48-52(51)54(56)58-50(44-38-34-30-24-20-16-12-8-4)46-40-36-32-28-26-22-18-14-10-6-2/h41-42,47-50H,5-40,43-46H2,1-4H3