bis(12-methyltridecyl) benzene-1,2-dicarboxylate

Systemtic Name: bis(12-methyltridecyl) benzene-1,2-dicarboxylate Openeye Name: bis(12-methyltridecyl) benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis(12-methyltridecyl) ester IUPAC Name: bis(12-methyltridecyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(12-methyltridecyl) ester Formula: C36H62O4 MolecularWeight: 558.87508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC(C)C

InChI

InChI=1S/C36H62O4/c1-31(2)25-19-15-11-7-5-9-13-17-23-29-39-35(37)33-27-21-22-28-34(33)36(38)40-30-24-18-14-10-6-8-12-16-20-26-32(3)4/h21-22,27-28,31-32H,5-20,23-26,29-30H2,1-4H3