2-hexylpropanedioic acid; 1-oxidanylpyrrolidine-2,5-dione

Systemtic Name: 2-hexylpropanedioic acid; 1-oxidanylpyrrolidine-2,5-dione Openeye Name: 2-hexylpropanedioic acid; 1-hydroxypyrrolidine-2,5-dione CAS Name: 2-hexylpropanedioic acid; 1-hydroxypyrrolidine-2,5-dione IUPAC Name: 2-hexylpropanedioic acid; 1-hydroxypyrrolidine-2,5-dione Traditional Name: 2-hexylmalonic acid; 1-hydroxypyrrolidine-2,5-quinone Formula: C17H26N2O10 MolecularWeight: 418.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)C(=O)O.C1CC(=O)N(C1=O)O.C1CC(=O)N(C1=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)C(=O)O.C1CC(=O)N(C1=O)O.C1CC(=O)N(C1=O)O

InChI

InChI=1S/C9H16O4.2C4H5NO3/c1-2-3-4-5-6-7(8(10)11)9(12)13;2*6-3-1-2-4(7)5(3)8/h7H,2-6H2,1H3,(H,10,11)(H,12,13);2*8H,1-2H2