1,2-bis(3-hexylsulfanylpropyl)-4-(oxidanylmethylidene)pyrazolidine-3,5-dione

Systemtic Name: 1,2-bis(3-hexylsulfanylpropyl)-4-(oxidanylmethylidene)pyrazolidine-3,5-dione Openeye Name: 1,2-bis(3-hexylsulfanylpropyl)-4-(hydroxymethylene)pyrazolidine-3,5-dione CAS Name: 1,2-bis[3-(hexylthio)propyl]-4-(hydroxymethylidene)pyrazolidine-3,5-dione IUPAC Name: 1,2-bis(3-hexylsulfanylpropyl)-4-(hydroxymethylidene)pyrazolidine-3,5-dione Traditional Name: 1,2-bis[3-(hexylthio)propyl]-4-(hydroxymethylene)pyrazolidine-3,5-quinone Formula: C22H40N2O3S2 MolecularWeight: 444.6946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCCN1C(=O)C(=CO)C(=O)N1CCCSCCCCCC

Isomeric SMILES

CCCCCCSCCCN1C(=O)C(=CO)C(=O)N1CCCSCCCCCC

InChI

InChI=1S/C22H40N2O3S2/c1-3-5-7-9-15-28-17-11-13-23-21(26)20(19-25)22(27)24(23)14-12-18-29-16-10-8-6-4-2/h19,25H,3-18H2,1-2H3