Primary Record
4-Ntpi-ppdime
- In stock
- 6,825 g
- Purity
- 99.2 %
- CAS
- 54959-22-7
Compound Identifiers & Properties
- CAS
- 54959-22-7
- PubChem CID
- 138756760
- SMILES
- CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)OC)C)CCC(=O)OC.C1=CC(=CC=C1[N+](=O)[O-])[S-].[Fe+3]
- Canonical 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]
Names & Synonyms
- 4-Ntpi-ppdime
- 4-Nitrothiophenolatoiron(III)-PP-IX-dime ester complex
- (4-Nitrothiophenolato)iron(III)-protoporphyrin IX dimethyl ester complex
- 54959-22-7
- Iron, (dimethyl 7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(2-)-N21,N22,N23,N24)(4-nitrobenzenethiolato-S)-, (SP-5-13)-