cycloheptacosane-1,1,10,10,19,19-hexacarboxylic acid

Systemtic Name: cycloheptacosane-1,1,10,10,19,19-hexacarboxylic acid Openeye Name: cycloheptacosane-1,1,10,10,19,19-hexacarboxylic acid CAS Name: cycloheptacosane-1,1,10,10,19,19-hexacarboxylic acid IUPAC Name: cycloheptacosane-1,1,10,10,19,19-hexacarboxylic acid Traditional Name: cycloheptacosane-1,1,10,10,19,19-hexacarboxylic acid Formula: C33H54O12 MolecularWeight: 642.77466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC(CCCCCCCCC(CCCCCCCCC(CCC1)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

C1CCCCC(CCCCCCCCC(CCCCCCCCC(CCC1)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C33H54O12/c34-25(35)31(26(36)37)19-13-7-1-2-8-14-20-32(27(38)39,28(40)41)22-16-10-5-6-12-18-24-33(29(42)43,30(44)45)23-17-11-4-3-9-15-21-31/h1-24H2,(H,34,35)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)