Hem
Molecular Formula:
C34H32FeN4O4S2
InChI: InChI=1/C34H34N4O4S2.Fe/c1-15-21(7-9-31(39)40)27-14-28-22(8-10-32(41)42)16(2)24(36-28)12-29-34(20(6)44)18(4)26(38-29)13-30-33(19(5)43)17(3)25(37-30)11-23(15)35-27;/h11-14H,5-10H2,1-4H3,(H6,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2/b23-11-,24-12-,25-11-,26-13-,27-14-,28-14-,29-12-,30-13-;/fC34H32N4O4S2.Fe/h39,41,43-44H;/q-2;m
InChIKey: InChIKey=KWLVFEFHZOXGTI-ZXUUZXSBDX
SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C(=C)S)C)C)CCC(=O)O)C(=C3C)CCC(=O)O)C(=C)S.[Fe+2]
Names:
Hem
Registries:
PubChem CID 11987638
PubChem ID 11538528
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