Nickel, [tetramethyl 3,8,13,18-tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropanoato(2-)- N21,N22,N23,N24]-, (sp-4-1)-

SpectraBase Compound ID	BajmqBL94b5
InChI	InChI=1S/C40H44N4O8.Ni/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-19-,32-20-,33-18-,34-17-,35-20-,36-19-;
InChIKey	OEOJESPGMPJLNW-GFNGJICESA-N Google Search
Mol Weight	767.5 g/mol
Molecular Formula	C40H44N4NiO8
Exact Mass	766.251256 g/mol

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SpectraBase Spectrum ID	KaLUlvk2R0W
Name	Nickel, [tetramethyl 3,8,13,18-tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropanoato(2-)- N21,N22,N23,N24]-, (sp-4-1)-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	766.251256385 u
Formula	C40H44N4NiO8
InChI	InChI=1S/C40H44N4O8.Ni/c1-21-25(9-13-37(45)49-5)33-18-30-23(3)27(11-15-39(47)51-7)35(43-30)20-32-24(4)28(12-16-40(48)52-8)36(44-32)19-31-22(2)26(10-14-38(46)50-6)34(42-31)17-29(21)41-33;/h17-20H,9-16H2,1-8H3;/q-2;+2/b29-17-,30-18-,31-19-,32-20-,33-18-,34-17-,35-20-,36-19-;
InChIKey	OEOJESPGMPJLNW-GFNGJICESA-N
Molecular Weight	767.505 g/mol
SMILES	C=12N3C(C(=C2CCC(=O)OC)C)=CC2=NC(=CC=4N([Ni]3)C(C=C3N=C(C1)C(=C3CCC(=O)OC)C)=C(C)C4CCC(=O)OC)C(=C2CCC(=O)OC)C