8-hexadecylheptadecane-1,8,17-tricarboxylate; hexanedioic acid

Systemtic Name: 8-hexadecylheptadecane-1,8,17-tricarboxylate; hexanedioic acid Openeye Name: adipic acid; 8-hexadecylheptadecane-1,8,17-tricarboxylate CAS Name: 8-hexadecylheptadecane-1,8,17-tricarboxylate; hexanedioic acid IUPAC Name: 8-hexadecylheptadecane-1,8,17-tricarboxylate; hexanedioic acid Traditional Name: adipic acid; 8-cetylheptadecane-1,8,17-tricarboxylate Formula: C42H75O10-3 MolecularWeight: 740.0389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCC(=O)[O-])(CCCCCCCC(=O)[O-])C(=O)[O-].C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCC(=O)[O-])(CCCCCCCC(=O)[O-])C(=O)[O-].C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C36H68O6.C6H10O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-25-30-36(35(41)42,32-27-22-17-19-24-29-34(39)40)31-26-21-16-13-14-18-23-28-33(37)38;7-5(8)3-1-2-4-6(9)10/h2-32H2,1H3,(H,37,38)(H,39,40)(H,41,42);1-4H2,(H,7,8)(H,9,10)/p-3