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1-Naphthalenesulfonic acid, 5-(dimethylamino)-, 4-[[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]methyl]phenyl ester
SpectraBase Compound ID 5CSejGPHZmO
InChI InChI=1S/C31H31N3O5S2/c1-33(2)28-13-5-11-26-24(28)9-7-15-30(26)40(35,36)32-21-22-17-19-23(20-18-22)39-41(37,38)31-16-8-10-25-27(31)12-6-14-29(25)34(3)4/h5-20,32H,21H2,1-4H3
InChIKey HBFKNUFGHXEKCW-UHFFFAOYSA-N
Mol Weight 589.73 g/mol
Molecular Formula C31H31N3O5S2
Exact Mass 589.170513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KorPohw2NXO
Name 1-Naphthalenesulfonic acid, 5-(dimethylamino)-, 4-[[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]methyl]phenyl ester
Alternate Name(s) 4-[(([5-(Dimethylamino)-1-naphthyl]sulfonyl)amino)methyl]phenyl 5-(dimethylamino)-1-naphthalenesulfonate 5-(dimethylamino)-1-naphthalenesulfonic acid [4-[[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]methyl]phenyl] ester [4-[[[5-(dimethylamino)-1-naphthyl]sulfonylamino]methyl]phenyl] 5-(dimethylamino)naphthalene-1-sulfonate [4-[[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methyl]phenyl] 5-(dimethylamino)naphthalene-1-sulfonate
CAS Registry Number 55836-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H31N3O5S2
InChI InChI=1S/C31H31N3O5S2/c1-33(2)28-13-5-11-26-24(28)9-7-15-30(26)40(35,36)32-21-22-17-19-23(20-18-22)39-41(37,38)31-16-8-10-25-27(31)12-6-14-29(25)34(3)4/h5-20,32H,21H2,1-4H3
InChIKey HBFKNUFGHXEKCW-UHFFFAOYSA-N
Molecular Weight 589.725 g/mol
SMILES N(Cc1ccc(cc1)OS(c1cccc2c1cccc2N(C)C)(=O)=O)S(c1cccc2c1cccc2N(C)C)(=O)=O
SPLASH splash10-00di-0900000000-d567c74a07076f38fb48
Source of Spectrum KO-1-92-21
Wiley ID 1409254