docosanoate; hexanedioate

Systemtic Name: docosanoate; hexanedioate Openeye Name: docosanoate; hexanedioate CAS Name: docosanoate; hexanedioate IUPAC Name: docosanoate; hexanedioate Traditional Name: adipate; behenate Formula: C28H51O6-3 MolecularWeight: 483.70094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].C(CCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].C(CCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C22H44O2.C6H10O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;7-5(8)3-1-2-4-6(9)10/h2-21H2,1H3,(H,23,24);1-4H2,(H,7,8)(H,9,10)/p-3