benzene-1,3-dicarboxylic acid; bis(8-methylnonyl) benzene-1,2-dicarboxylate

Systemtic Name: benzene-1,3-dicarboxylic acid; bis(8-methylnonyl) benzene-1,2-dicarboxylate Openeye Name: bis(8-methylnonyl) benzene-1,2-dicarboxylate; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; benzene-1,2-dicarboxylic acid bis(8-methylnonyl) ester IUPAC Name: benzene-1,3-dicarboxylic acid; bis(8-methylnonyl) benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis(8-methylnonyl) ester; isophthalic acid Formula: C36H52O8 MolecularWeight: 612.79328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C28H46O4.C8H6O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4;9-7(10)5-2-1-3-6(4-5)8(11)12/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3;1-4H,(H,9,10)(H,11,12)