3,6-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxylic acid

Systemtic Name: 3,6-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxylic acid Openeye Name: 3,6-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxylic acid CAS Name: 3,6-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxylic acid IUPAC Name: 3,6-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxylic acid Traditional Name: 3,6-bis(2-ethylhexyl)pyromellitic acid Formula: C26H38O8 MolecularWeight: 478.57512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C(=C(C(=C1C(=O)O)C(=O)O)CC(CC)CCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)CC1=C(C(=C(C(=C1C(=O)O)C(=O)O)CC(CC)CCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C26H38O8/c1-5-9-11-15(7-3)13-17-19(23(27)28)21(25(31)32)18(14-16(8-4)12-10-6-2)22(26(33)34)20(17)24(29)30/h15-16H,5-14H2,1-4H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)