3,5,6-tris(8-methylnonyl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5,6-tris(8-methylnonyl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tris(8-methylnonyl)benzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tris(8-methylnonyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tris(8-methylnonyl)benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tris(8-methylnonyl)trimellitic acid Formula: C39H66O6 MolecularWeight: 630.93774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCCCC(C)C)C(=O)O)C(=O)O)CCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCCCC(C)C)C(=O)O)C(=O)O)CCCCCCCC(C)C

InChI

InChI=1S/C39H66O6/c1-28(2)22-16-10-7-13-19-25-31-32(26-20-14-8-11-17-23-29(3)4)35(38(42)43)36(39(44)45)33(34(31)37(40)41)27-21-15-9-12-18-24-30(5)6/h28-30H,7-27H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)