hexanedioate; 2-oxidanyloctadecanoate

Systemtic Name: hexanedioate; 2-oxidanyloctadecanoate Openeye Name: hexanedioate; 2-hydroxyoctadecanoate CAS Name: hexanedioate; 2-hydroxyoctadecanoate IUPAC Name: hexanedioate; 2-hydroxyoctadecanoate Traditional Name: adipate; 2-hydroxystearate Formula: C24H43O7-3 MolecularWeight: 443.59402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O3.C6H10O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21;7-5(8)3-1-2-4-6(9)10/h17,19H,2-16H2,1H3,(H,20,21);1-4H2,(H,7,8)(H,9,10)/p-3