1H-Isoindole-1,3(2H)-dione, 2-[6-[(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphin-5-yl)methoxy]hex yl]-

SpectraBase Compound ID	1uMceh3dRIA
InChI	InChI=1S/C51H63N5O3/c1-9-31-33(11-3)44-28-46-35(13-5)37(15-7)48(54-46)41(30-59-26-22-18-17-21-25-56-50(57)39-23-19-20-24-40(39)51(56)58)49-38(16-8)36(14-6)47(55-49)29-45-34(12-4)32(10-2)43(53-45)27-42(31)52-44/h19-20,23-24,27-29,52,55H,9-18,21-22,25-26,30H2,1-8H3/b42-27-,43-27-,44-28-,45-29-,46-28-,47-29-,48-41-,49-41-
InChIKey	YKLHFUOHBXJOMS-TYVMUDAQSA-N Google Search
Mol Weight	794.1 g/mol
Molecular Formula	C51H63N5O3
Exact Mass	793.493091 g/mol

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SpectraBase Spectrum ID	JpchWhf4ICY
Name	1H-Isoindole-1,3(2H)-dione, 2-[6-[(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphin-5-yl)methoxy]hex yl]-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	793.493090906 u
Formula	C51H63N5O3
InChI	InChI=1S/C51H63N5O3/c1-9-31-33(11-3)44-28-46-35(13-5)37(15-7)48(54-46)41(30-59-26-22-18-17-21-25-56-50(57)39-23-19-20-24-40(39)51(56)58)49-38(16-8)36(14-6)47(55-49)29-45-34(12-4)32(10-2)43(53-45)27-42(31)52-44/h19-20,23-24,27-29,52,55H,9-18,21-22,25-26,30H2,1-8H3/b42-27-,43-27-,44-28-,45-29-,46-28-,47-29-,48-41-,49-41-
InChIKey	YKLHFUOHBXJOMS-TYVMUDAQSA-N
Molecular Weight	794.097 g/mol
SMILES	C12=C(C=3NC(C=C4N=C(C=C5NC(=CC(=N2)C(=C1CC)CC)C(=C5CC)CC)C(=C4CC)CC)=C(C3CC)CC)COCCCCCCN1C(C=2C=CC=CC2C1=O)=O