4,7-bis[4-(trioxidanylsulfanyl)phenyl]-1,10-dihydro-1,10-phenanthroline

Systemtic Name: 4,7-bis[4-(trioxidanylsulfanyl)phenyl]-1,10-dihydro-1,10-phenanthroline Openeye Name: 4,7-bis[4-(trioxidanylsulfanyl)phenyl]-1,10-dihydro-1,10-phenanthroline CAS Name: 4-[7-[4-(trioxidanylthio)phenyl]-1,10-dihydro-1,10-phenanthrolin-4-yl]benzenesulfenic acid hydroperoxy ester IUPAC Name: 4,7-bis[4-(trioxidanylsulfanyl)phenyl]-1,10-dihydro-1,10-phenanthroline Traditional Name: 4,7-bis[4-(trioxidanylthio)phenyl]-1,10-dihydro-1,10-phenanthroline Formula: C24H18N2O6S2 MolecularWeight: 494.53952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC4=C(C=CNC4=C3NC=C2)C5=CC=C(C=C5)SOOO)SOOO

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC4=C(C=CNC4=C3NC=C2)C5=CC=C(C=C5)SOOO)SOOO

InChI

InChI=1S/C24H18N2O6S2/c27-29-31-33-17-5-1-15(2-6-17)19-11-13-25-23-21(19)9-10-22-20(12-14-26-24(22)23)16-3-7-18(8-4-16)34-32-30-28/h1-14,25-28H