hematin

Compound Identifiers & Properties

CAS

14875-96-8

PubChem CID

172878257

SMILES

[H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C([N-]4)C=C5C(=C(C(=CC1[N-]2)[N-]5)C)C=C)C)C=C)C)CCC(=O)[O-])CCC(=O)[O-].[Fe+4]

Canonical SMILES

C=CC1=C(C)C2C=c3[n-]c(c(C)c3C=C)=CC3[N-]C(=Cc4[n-]c(c(C)c4CCC(=O)[O-])C=C1[N-]2)C(CCC(=O)[O-])=C3C.[Fe+4].[H+].[H+]