SpectraBase Compound ID | KDti2LITnpv |
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InChI | InChI=1S/C22H16ClN5O10S3.3Na/c23-14-10-13(39(30,31)32)6-7-15(14)26-27-20-16(40(33,34)35)8-11-9-17(41(36,37)38)21(22(29)18(11)19(20)24)28-25-12-4-2-1-3-5-12;;;/h1-10,29H,24H2,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b27-26-,28-25+;;; |
InChIKey | CXRYJTKBWPWWFM-IYEUXGJPSA-K |
Mol Weight | 707.97330785 g/mol |
Molecular Formula | C22H13ClN5Na3O10S3 |
Exact Mass | 706.920616 g/mol |
SpectraBase Spectrum ID | 8khtDFtLjNP |
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Name | 2,7-Naphthalenedisulfonic acid, 4-amino-3-[(2-chloro-4-sulfophenyl)azo]-5-hydroxy-6-(phenylazo)-, trisodium salt |
CAS Registry Number | 5850-32-8 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C22H13ClN5Na3O10S3 |
InChI | InChI=1S/C22H16ClN5O10S3.3Na/c23-14-10-13(39(30,31)32)6-7-15(14)26-27-20-16(40(33,34)35)8-11-9-17(41(36,37)38)21(22(29)18(11)19(20)24)28-25-12-4-2-1-3-5-12;;;/h1-10,29H,24H2,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b27-26-,28-25+;;; |
InChIKey | CXRYJTKBWPWWFM-IYEUXGJPSA-K |
Instrument Name | Bruker IFS 85 |
Synonyms | 3-Chlorosulfanilic acid->(ac)(1)H=acid(2)(alk)<-aniline |
Technique | KBr-Pellet |