Iron, (methanesulfinato-O)[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato (2-)-N21,N22,N23,N24]-, (SP-5-12)-

SpectraBase Compound ID	3YDlx6L0y3Q
InChI	InChI=1S/C36H44N4.CH3O2S.Fe/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-4(2)3;/h17-20H,9-16H2,1-8H3;1H3;/q-2;;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;
InChIKey	GCQICBZVQOGQKD-YAJYDHHFSA-N Google Search
Mol Weight	667.7 g/mol
Molecular Formula	C37H47FeN4O2S
Exact Mass	667.276909 g/mol

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SpectraBase Spectrum ID	L14txs8C0xY
Name	Iron, (methanesulfinato-O)[2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphinato (2-)-N21,N22,N23,N24]-, (SP-5-12)-
CAS Registry Number	82008-29-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C37H47FeN4O2S
InChI	InChI=1S/C36H44N4.CH3O2S.Fe/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-4(2)3;/h17-20H,9-16H2,1-8H3;1H3;/q-2;;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;
InChIKey	GCQICBZVQOGQKD-YAJYDHHFSA-N
Molecular Weight	667.714 g/mol
SMILES	C=12[N-]3[Fe+2]45([N-]6C(=CC=7C(=C(C(=C2)[N]47)CC)CC)C(=C(C6=CC2=[N]5C(=CC3=C(CC)C1CC)C(CC)=C2CC)CC)CC)S(=O)(=O)C
SPLASH	splash10-000i-0000090000-737e4d9f6f2420879a44
Source of Spectrum	KA-1984-571-4
Synonyms	21H,23H-porphine, 2,3,7,8,12,13,17,18-octaethyl-, iron complex 4,5,9,10,14,15,19,20-octaethyl-1-methanesulfonyl-2-aza-22-aza-23-aza-25-aza-1-ferraoctacyclo[11.9.1.1(1,8).1(3,21).0(2,6).0(16,23).0(18,22).0(11,25)]pentacosa-3(24),4,6,8(25),9,11,13,15,17,19,21-undecaene-1,1-bis(ylium)-2,23-diide Methanesulfinic acid, iron complex Methylsulfinato(2,3,7,8,12,13,17,18-octaethylprophyrinato)iron
Wiley ID	1413807