2-Propenoic acid, 11-[4-(1,5-diamino-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-2-anthracenyl)phenoxy]undecyl ester

SpectraBase Compound ID	5M1a8hASYPX
InChI	InChI=1S/C34H38N2O7/c1-2-27(39)43-19-11-9-7-5-3-4-6-8-10-18-42-22-14-12-21(13-15-22)23-20-26(38)30-31(32(23)36)34(41)29-25(37)17-16-24(35)28(29)33(30)40/h2,12-17,20,37-38H,1,3-11,18-19,35-36H2
InChIKey	RJQONXQDWLFCIM-UHFFFAOYSA-N Google Search
Mol Weight	586.7 g/mol
Molecular Formula	C34H38N2O7
Exact Mass	586.267902 g/mol

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SpectraBase Spectrum ID	KemmygN7HId
Name	2-Propenoic acid, 11-[4-(1,5-diamino-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-2-anthracenyl)phenoxy]undecyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	586.267901565 u
Formula	C34H38N2O7
InChI	InChI=1S/C34H38N2O7/c1-2-27(39)43-19-11-9-7-5-3-4-6-8-10-18-42-22-14-12-21(13-15-22)23-20-26(38)30-31(32(23)36)34(41)29-25(37)17-16-24(35)28(29)33(30)40/h2,12-17,20,37-38H,1,3-11,18-19,35-36H2
InChIKey	RJQONXQDWLFCIM-UHFFFAOYSA-N
Molecular Weight	586.685 g/mol
SMILES	NC1=CC=C(C2=C1C(C1=C(C=C(C(=C1C2=O)N)C1=CC=C(C=C1)OCCCCCCCCCCCOC(C=C)=O)O)=O)O