2,3,3-tris(2-ethylhexoxycarbonyl)cyclohexane-1,1,2-tricarboxylic acid

Systemtic Name: 2,3,3-tris(2-ethylhexoxycarbonyl)cyclohexane-1,1,2-tricarboxylic acid Openeye Name: 2,3,3-tris(2-ethylhexoxycarbonyl)cyclohexane-1,1,2-tricarboxylic acid CAS Name: 2,3,3-tris[2-ethylhexoxy(oxo)methyl]cyclohexane-1,1,2-tricarboxylic acid IUPAC Name: 2,3,3-tris(2-ethylhexoxycarbonyl)cyclohexane-1,1,2-tricarboxylic acid Traditional Name: 2,3,3-tris(2-ethylhexoxycarbonyl)cyclohexane-1,1,2-tricarboxylic acid Formula: C36H60O12 MolecularWeight: 684.8544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1(CCCC(C1(C(=O)O)C(=O)OCC(CC)CCCC)(C(=O)O)C(=O)O)C(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCC(CC)COC(=O)C1(CCCC(C1(C(=O)O)C(=O)OCC(CC)CCCC)(C(=O)O)C(=O)O)C(=O)OCC(CC)CCCC

InChI

InChI=1S/C36H60O12/c1-7-13-17-25(10-4)22-46-31(43)35(32(44)47-23-26(11-5)18-14-8-2)21-16-20-34(28(37)38,29(39)40)36(35,30(41)42)33(45)48-24-27(12-6)19-15-9-3/h25-27H,7-24H2,1-6H3,(H,37,38)(H,39,40)(H,41,42)