SpectraBase Compound ID | JNe8j3sKSW6 |
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InChI | InChI=1S/C31H29N11O5S.Na/c1-15-9-27(24(34)12-22(15)32)40-37-18-5-7-19(8-6-18)38-42-30-29(48(45,46)47)10-17-3-4-20(11-21(17)31(30)44)39-41-28-14-26(36-16(2)43)23(33)13-25(28)35;/h3-14,44H,32-35H2,1-2H3,(H,36,43)(H,45,46,47);/q;+1/p-1/b40-37?,41-39-,42-38-; |
InChIKey | VWLHICGOQRXJFT-WCQXKIFTSA-M |
Mol Weight | 689.68676928 g/mol |
Molecular Formula | C31H28N11NaO5S |
Exact Mass | 689.189328 g/mol |
SpectraBase Spectrum ID | CnY6accprA4 |
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Name | 2-Naphthalenesulfonic acid, 6-[(5-acetamido-2,4-diaminophenyl)azo]-3-[[p-[(4,6-diamino-m-tolyl)azo]phenyl]azo]-4-hydroxy-, monosodium salt |
CAS Registry Number | 10114-94-0 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C31H28N11NaO5S |
InChI | InChI=1S/C31H29N11O5S.Na/c1-15-9-27(24(34)12-22(15)32)40-37-18-5-7-19(8-6-18)38-42-30-29(48(45,46)47)10-17-3-4-20(11-21(17)31(30)44)39-41-28-14-26(36-16(2)43)23(33)13-25(28)35;/h3-14,44H,32-35H2,1-2H3,(H,36,43)(H,45,46,47);/q;+1/p-1/b40-37?,41-39-,42-38-; |
InChIKey | VWLHICGOQRXJFT-WCQXKIFTSA-M |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |