3,5,6-tris(11-methyldodecyl)benzene-1,2,4-tricarboxylic acid

Systemtic Name: 3,5,6-tris(11-methyldodecyl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tris(11-methyldodecyl)benzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tris(11-methyldodecyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tris(11-methyldodecyl)benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tris(11-methyldodecyl)trimellitic acid Formula: C48H84O6 MolecularWeight: 757.17696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCCCCCCC(C)C)C(=O)O)C(=O)O)CCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCCCCCCC(C)C)C(=O)O)C(=O)O)CCCCCCCCCCC(C)C

InChI

InChI=1S/C48H84O6/c1-37(2)31-25-19-13-7-10-16-22-28-34-40-41(35-29-23-17-11-8-14-20-26-32-38(3)4)44(47(51)52)45(48(53)54)42(43(40)46(49)50)36-30-24-18-12-9-15-21-27-33-39(5)6/h37-39H,7-36H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)