SpectraBase Compound ID | A8WOn1PiwAq |
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InChI | InChI=1S/C29H24ClN5O9S2.2Na/c1-3-44-27-13-23(32-33-24-14-26(43-2)22(31)12-21(24)30)20-11-17(46(40,41)42)6-8-19(20)29(27)35-34-28-18-7-5-16(45(37,38)39)10-15(18)4-9-25(28)36;;/h4-14,36H,3,31H2,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b33-32+,35-34+;; |
InChIKey | KGTXZCUKGGLWKB-NDRCTJIESA-L |
Mol Weight | 730.07353856 g/mol |
Molecular Formula | C29H22ClN5Na2O9S2 |
Exact Mass | 729.034286 g/mol |
SpectraBase Spectrum ID | 2odnI8KRKKw |
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Name | 2-Naphthalenesulfonic acid, 8-[(4-amino-2-chloro-5-methoxyphenyl)azo]-6-ethoxy-5-[(2-hydroxy-6-sulfo-1-naphthalenyl)azo]-, disodium salt |
CAS Registry Number | 6369-27-3 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C29H22ClN5Na2O9S2 |
InChI | InChI=1S/C29H24ClN5O9S2.2Na/c1-3-44-27-13-23(32-33-24-14-26(43-2)22(31)12-21(24)30)20-11-17(46(40,41)42)6-8-19(20)29(27)35-34-28-18-7-5-16(45(37,38)39)10-15(18)4-9-25(28)36;;/h4-14,36H,3,31H2,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b33-32+,35-34+;; |
InChIKey | KGTXZCUKGGLWKB-NDRCTJIESA-L |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |