4-[bis(dodecylsulfanyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione

Systemtic Name: 4-[bis(dodecylsulfanyl)methylidene]-1-phenyl-pyrazolidine-3,5-dione Openeye Name: 4-[bis(dodecylsulfanyl)methylene]-1-phenyl-pyrazolidine-3,5-dione CAS Name: 4-[bis(dodecylthio)methylidene]-1-phenylpyrazolidine-3,5-dione IUPAC Name: 4-[bis(dodecylsulfanyl)methylidene]-1-phenylpyrazolidine-3,5-dione Traditional Name: 4-[bis(laurylthio)methylene]-1-phenyl-pyrazolidine-3,5-quinone Formula: C34H56N2O2S2 MolecularWeight: 588.95064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=C1C(=O)NN(C1=O)C2=CC=CC=C2)SCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC(=C1C(=O)NN(C1=O)C2=CC=CC=C2)SCCCCCCCCCCCC

InChI

InChI=1S/C34H56N2O2S2/c1-3-5-7-9-11-13-15-17-19-24-28-39-34(40-29-25-20-18-16-14-12-10-8-6-4-2)31-32(37)35-36(33(31)38)30-26-22-21-23-27-30/h21-23,26-27H,3-20,24-25,28-29H2,1-2H3,(H,35,37)