3,5-bis(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5-bis(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5-bis(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid CAS Name: 3,5-bis(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5-bis(2-ethylhexyl)benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5-bis(2-ethylhexyl)trimellitic acid Formula: C25H38O6 MolecularWeight: 434.56562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C(=C(C(=C1)C(=O)O)C(=O)O)CC(CC)CCCC)C(=O)O

Isomeric SMILES

CCCCC(CC)CC1=C(C(=C(C(=C1)C(=O)O)C(=O)O)CC(CC)CCCC)C(=O)O

InChI

InChI=1S/C25H38O6/c1-5-9-11-16(7-3)13-18-15-20(23(26)27)22(25(30)31)19(21(18)24(28)29)14-17(8-4)12-10-6-2/h15-17H,5-14H2,1-4H3,(H,26,27)(H,28,29)(H,30,31)