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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC

InChI

InChI=1S/C36H54O12/c1-4-7-10-13-16-19-22-46-34(43)28-26(32(39)40)25(31(37)38)27(33(41)42)29(35(44)47-23-20-17-14-11-8-5-2)30(28)36(45)48-24-21-18-15-12-9-6-3/h4-24H2,1-3H3,(H,37,38)(H,39,40)(H,41,42)