2-(hexadecylsulfonyl)-4-sulfobenzoic acid, 4-[(3-methyl-5-sulfo-2-benzothiazolinylidene)hydrazide]

SpectraBase Compound ID	96OulClVzQT
InChI	InChI=1S/C31H45N3O9S4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-45(37,38)29-23-24(17-19-26(29)30(35)36)46(39,40)33-32-31-34(2)27-22-25(47(41,42)43)18-20-28(27)44-31/h17-20,22-23,33H,3-16,21H2,1-2H3,(H,35,36)(H,41,42,43)/b32-31+
InChIKey	RVMGRGLACPXONI-QNEJGDQOSA-N Google Search
Mol Weight	732.0 g/mol
Molecular Formula	C31H45N3O9S4
Exact Mass	731.203865 g/mol

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SpectraBase Spectrum ID	Bl7wxAjqwt5
Name	2-(HEXADECYLSULFONYL)-4-SULFOBENZOIC ACID, 4-[(3-METHYL-5-SULFO-2-BENZOTHIAZOLINYLIDENE)HYDRAZIDE]
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	S56868
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H45N3O9S4
InChI	InChI=1S/C31H45N3O9S4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-45(37,38)29-23-24(17-19-26(29)30(35)36)46(39,40)33-32-31-34(2)27-22-25(47(41,42)43)18-20-28(27)44-31/h17-20,22-23,33H,3-16,21H2,1-2H3,(H,35,36)(H,41,42,43)/b32-31+
InChIKey	RVMGRGLACPXONI-QNEJGDQOSA-N
Molecular Weight	731.953003
Synonyms	BENZOIC ACID, 2-/HEXADECYLSULFON- YL/-4-SULFO-, 4-//3-METHYL-5-SULFO- 2-BENZOTHIAZOLINYLIDENE/HYDRAZIDE/
Technique	KBr WAFER