(4-nitrothiophenolato)iron(III)-protoporphyrin IX dimethyl ester complex

Modify Date: 2025-08-28 20:02:50

(4-nitrothiophenolato)iron(III)-protoporphyrin IX dimethyl ester complex structure	Common Name	(4-nitrothiophenolato)iron(III)-protoporphyrin IX dimethyl ester complex
	CAS Number	54959-22-7	Molecular Weight	802.73900
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₄₂H₄₄FeN₅O₆S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	iron(III) protoporphyrin IX dimethyl ester p-nitrobenzenethiolate

Molecular Formula	C₄₂H₄₄FeN₅O₆S
Molecular Weight	802.73900
Exact Mass	802.23600
PSA	143.44000
LogP	5.01230
InChIKey	VOBFGBFHKWLDGX-UHFFFAOYSA-M
SMILES	C=CC1=C(C)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(C)c5C=C)C(C)=C4CCC(=O)OC)c(CCC(=O)OC)c3C.O=[N+]([O-])c1ccc([S-])cc1.[Fe+3]

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