3,4-bis(octan-2-ylsulfanyl)pyrrole-2,5-dione

Systemtic Name: 3,4-bis(octan-2-ylsulfanyl)pyrrole-2,5-dione Openeye Name: 3,4-bis(1-methylheptylsulfanyl)pyrrole-2,5-dione CAS Name: 3,4-bis(octan-2-ylthio)pyrrole-2,5-dione IUPAC Name: 3,4-bis(octan-2-ylsulfanyl)pyrrole-2,5-dione Traditional Name: 3,4-bis(1-methylheptylthio)-3-pyrroline-2,5-quinone Formula: C20H35NO2S2 MolecularWeight: 385.6274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)SC1=C(C(=O)NC1=O)SC(C)CCCCCC

Isomeric SMILES

CCCCCCC(C)SC1=C(C(=O)NC1=O)SC(C)CCCCCC

InChI

InChI=1S/C20H35NO2S2/c1-5-7-9-11-13-15(3)24-17-18(20(23)21-19(17)22)25-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3,(H,21,22,23)