1,10,19-tris(ethoxycarbonyl)cycloheptacosane-1,10,19-tricarboxylic acid

Systemtic Name: 1,10,19-tris(ethoxycarbonyl)cycloheptacosane-1,10,19-tricarboxylic acid Openeye Name: 1,10,19-tris(ethoxycarbonyl)cycloheptacosane-1,10,19-tricarboxylic acid CAS Name: 1,10,19-tris(ethoxycarbonyl)cycloheptacosane-1,10,19-tricarboxylic acid IUPAC Name: 1,10,19-tris(ethoxycarbonyl)cycloheptacosane-1,10,19-tricarboxylic acid Traditional Name: 1,10,19-tricarbethoxycycloheptacosane-1,10,19-tricarboxylic acid Formula: C39H66O12 MolecularWeight: 726.93414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCCCCCC(CCCCCCCCC(CCCCCCCC1)(C(=O)O)C(=O)OCC)(C(=O)O)C(=O)OCC)C(=O)O

Isomeric SMILES

CCOC(=O)C1(CCCCCCCCC(CCCCCCCCC(CCCCCCCC1)(C(=O)O)C(=O)OCC)(C(=O)O)C(=O)OCC)C(=O)O

InChI

InChI=1S/C39H66O12/c1-4-49-34(46)37(31(40)41)25-19-13-7-9-15-21-27-38(32(42)43,35(47)50-5-2)29-23-17-11-12-18-24-30-39(33(44)45,36(48)51-6-3)28-22-16-10-8-14-20-26-37/h4-30H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)