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4-(Dimethylamino)-4'-{3'',5''-bis[4''',4'''-(Dimethylaminophenyl)azophenylsulfonyloxy]sulfonyl}azobenzene
SpectraBase Compound ID CSeWXVOIxAj
InChI InChI=1S/C48H45N9O9S3/c1-55(2)40-19-7-34(8-20-40)49-52-37-13-25-43(26-14-37)64-68(60,61)47-31-45(66-67(58,59)46-29-17-39(18-30-46)54-51-36-11-23-42(24-12-36)57(5)6)32-48(33-47)69(62,63)65-44-27-15-38(16-28-44)53-50-35-9-21-41(22-10-35)56(3)4/h7-33H,1-6H3/b52-49+,53-50+,54-51+
InChIKey SCRSVNTWLJRDOV-WSUSHDEBSA-N
Mol Weight 988.1 g/mol
Molecular Formula C48H45N9O9S3
Exact Mass 987.250238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDMRFOiMnAj
Name 4-(Dimethylamino)-4'-{3'',5''-bis[4''',4'''-(Dimethylaminophenyl)azophenylsulfonyloxy]sulfonyl}azobenzene
Alternate Name(s) 5-[4-(4-Dimethylamino-phenylazo)-benzenesulfonyloxy]-benzene-1,3-disulfonic acid bis-[4-(4-dimethylamino-phenylazo)-phenyl]ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H45N9O9S3
InChI InChI=1S/C48H45N9O9S3/c1-55(2)40-19-7-34(8-20-40)49-52-37-13-25-43(26-14-37)64-68(60,61)47-31-45(66-67(58,59)46-29-17-39(18-30-46)54-51-36-11-23-42(24-12-36)57(5)6)32-48(33-47)69(62,63)65-44-27-15-38(16-28-44)53-50-35-9-21-41(22-10-35)56(3)4/h7-33H,1-6H3/b52-49+,53-50+,54-51+
InChIKey SCRSVNTWLJRDOV-WSUSHDEBSA-N
Molecular Weight 988.122 g/mol
SMILES c1(S(Oc2ccc(\N=N\c3ccc(cc3)N(C)C)cc2)(=O)=O)cc(S(Oc2ccc(\N=N\c3ccc(cc3)N(C)C)cc2)(=O)=O)cc(OS(c2ccc(\N=N\c3ccc(cc3)N(C)C)cc2)(=O)=O)c1
SPLASH splash10-0002-0900000000-1617552a5b1da51c5372
Source of Spectrum O1-28-773-21
Wiley ID 818278