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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCCCN1C(=O)C(=CO)C(=O)N1C(CC)SCCCCCC

Isomeric SMILES

CCCCCCSCCCN1C(=O)/C(=C/O)/C(=O)N1C(CC)SCCCCCC

InChI

InChI=1S/C22H40N2O3S2/c1-4-7-9-11-15-28-16-13-14-23-21(26)19(18-25)22(27)24(23)20(6-3)29-17-12-10-8-5-2/h18,20,25H,4-17H2,1-3H3/b19-18-