Nombre del analito

FePSS

Número CAS

517858-16-1

Fórmula molecular

C34H36ClFeN6O2S2

Peso molecular

716.12

Masa exacta

715.14

SMILES

O=C(CCC(C(C=C1C(CC2)=C(C)C([N-]13)=C4)=[N]56)=C(C)C5=CC7=C(C)C=C8C=C9C(C)=CC4=[N]9[Fe+3]63([Cl-])[N-]87)NCCSSCCNC2=O

InChI

InChI=1S/C34H38N6O2S2.ClH.Fe/c1-19-13-24-16-29-21(3)25-5-7-33(41)35-9-11-43-44-12-10-36-34(42)8-6-26-22(4)30(40-32(26)18-31(25)39-29)17-28-20(2)14-23(38-28)15-27(19)37-24;;/h13-18H,5-12H2,1-4H3,(H4,35,36,37,38,39,40,41,42);1H;/q;;+3/p-3/b23-15-,24-16-,27-15-,28-17-,29-16-,30-17-,31-18-,32-18-;;

País de origen

CANADA

Formato del producto

Neat