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

Systemtic Name: 4,5,6-tris(6-methylheptoxycarbonyl)benzene-1,2,3-tricarboxylic acid Openeye Name: 4,5,6-tris(6-methylheptoxycarbonyl)benzene-1,2,3-tricarboxylic acid CAS Name: 4,5,6-tris[6-methylheptoxy(oxo)methyl]benzene-1,2,3-tricarboxylic acid IUPAC Name: 4,5,6-tris(6-methylheptoxycarbonyl)benzene-1,2,3-tricarboxylic acid Traditional Name: 4,5,6-tris(6-methylheptoxycarbonyl)hemimellitic acid Formula: C36H54O12 MolecularWeight: 678.80676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC(=O)C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCOC(=O)C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)OCCCCCC(C)C)C(=O)OCCCCCC(C)C

InChI

InChI=1S/C36H54O12/c1-22(2)16-10-7-13-19-46-34(43)28-26(32(39)40)25(31(37)38)27(33(41)42)29(35(44)47-20-14-8-11-17-23(3)4)30(28)36(45)48-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3,(H,37,38)(H,39,40)(H,41,42)