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

Systemtic Name: 3,5,6-tris(6-methylheptyl)benzene-1,2,4-tricarboxylic acid Openeye Name: 3,5,6-tris(6-methylheptyl)benzene-1,2,4-tricarboxylic acid CAS Name: 3,5,6-tris(6-methylheptyl)benzene-1,2,4-tricarboxylic acid IUPAC Name: 3,5,6-tris(6-methylheptyl)benzene-1,2,4-tricarboxylic acid Traditional Name: 3,5,6-tris(6-methylheptyl)trimellitic acid Formula: C33H54O6 MolecularWeight: 546.77826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCC(C)C)C(=O)O)C(=O)O)CCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCC1=C(C(=C(C(=C1C(=O)O)CCCCCC(C)C)C(=O)O)C(=O)O)CCCCCC(C)C

InChI

InChI=1S/C33H54O6/c1-22(2)16-10-7-13-19-25-26(20-14-8-11-17-23(3)4)29(32(36)37)30(33(38)39)27(28(25)31(34)35)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3,(H,34,35)(H,36,37)(H,38,39)