trans-4-[4-(Dibutylamino)styryl]-1-(3-sulfopropyl)pyridinium hydroxide, inner salt hydrate

SpectraBase Compound ID	54PBCPUz5cP
InChI	InChI=1S/C24H34N2O3S.O/c1-3-5-17-26(18-6-4-2)24-12-10-22(11-13-24)8-9-23-14-19-25(20-15-23)16-7-21-30(27,28)29;/h8-15,19-20H,3-7,16-18,21H2,1-2H3;
InChIKey	DVRYUYDQOLHOKM-UHFFFAOYSA-N Google Search
Mol Weight	446.6 g/mol
Molecular Formula	C24H34N2O4S
Exact Mass	446.223929 g/mol

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SpectraBase Spectrum ID	2jmC6CyzX3t
Name	trans-4-[4-(Dibutylamino)styryl]-1-(3-sulfopropyl)pyridinium hydroxide, inner salt hydrate
Source of Sample	Sigma-Aldrich
Catalog Number	338508
CAS Registry Number	123334-04-3
Comments	MW calculated on anhydrous base
Copyright	Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H34N2O3S*xH2O
InChI	InChI=1S/C24H34N2O3S.O/c1-3-5-17-26(18-6-4-2)24-12-10-22(11-13-24)8-9-23-14-19-25(20-15-23)16-7-21-30(27,28)29;/h8-15,19-20H,3-7,16-18,21H2,1-2H3;
InChIKey	DVRYUYDQOLHOKM-UHFFFAOYSA-N
Purity	98%
Synonyms	3-(4-{(1E)-2-[4-(dibutylamino)phenyl]vinyl}pyridyl)propanesulfonic acid, hydrate
Wiley ID	SIAL_ATR-IR_016027