Nickel, [deuteroporphyrin IX-ato(2-)]-, dimethyl ester

SpectraBase Compound ID	BBSS3t3Z4kw
InChI	InChI=1S/C32H32N4O4.Ni/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22;/h11-16H,7-10H2,1-6H3;/q-2;+2/b21-13-,22-14-,25-13-,26-15-,27-14-,28-15-,29-16-,30-16-;
InChIKey	DXTMJOOPKWKSFS-UQNLBECZSA-N Google Search
Mol Weight	595.3 g/mol
Molecular Formula	C32H32N4NiO4
Exact Mass	594.177698 g/mol

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SpectraBase Spectrum ID	I2x4VPFs5ut
Name	Nickel, [deuteroporphyrin IX-ato(2-)]-, dimethyl ester
CAS Registry Number	15892-10-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C32H32N4NiO4
InChI	InChI=1S/C32H32N4O4.Ni/c1-17-11-22-14-27-19(3)23(7-9-31(37)39-5)29(35-27)16-30-24(8-10-32(38)40-6)20(4)28(36-30)15-26-18(2)12-21(34-26)13-25(17)33-22;/h11-16H,7-10H2,1-6H3;/q-2;+2/b21-13-,22-14-,25-13-,26-15-,27-14-,28-15-,29-16-,30-16-;
InChIKey	DXTMJOOPKWKSFS-UQNLBECZSA-N
Molecular Weight	595.325 g/mol
SMILES	c12[n]3c(c(c2CCC(=O)OC)C)cc2nc(cc4[n]([Ni]3)c(cc3nc(c1)c(c3C)CCC(=O)OC)c(C)c4)c(c2)C
SPLASH	splash10-006y-0090350000-2d82dd8d9ccface0be9c
Source of Spectrum	O-24-880-0
Synonyms	Nickel, [dihydrogen 3,7,12,17-tetramethyl-2,18-porphinedipropionato(2-)]-, dimethyl ester Nickel, [dimethyl 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(2-)-N21,N22,N23,N24]-, (SP-4-2)- 13,17-di[(methoxycarbonyl)ethyl]-2,7,12,18-tetramethylporphine-21H,23H-nickel(II) 21H,23H-porphine-2,18-dipropanoic acid, 3,7,12,17-tetramethyl-, dimethyl ester, nickel complex Methyl 3-[5-(3-methoxy-3-oxopropyl)-4,10,15,20-tetramethyl-21,23,24,25-tetraaza-22-nickelahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-9-yl]propanoate Nickel(II)-(deuterio)porphyrine IX-dimethyl ester
Wiley ID	1409628