SpectraBase Compound ID | ERwL31opKxB |
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InChI | InChI=1S/C32H22N4O11S3.3Na/c37-31-26-4-2-1-3-25(26)28(49(42,43)44)17-27(31)35-33-21-9-5-18(6-10-21)19-7-11-22(12-8-19)34-36-30-29(50(45,46)47)16-20-15-23(48(39,40)41)13-14-24(20)32(30)38;;;/h1-17,37-38H,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b35-33+,36-34+;;; |
InChIKey | IUPYJBBPDBXWBW-BCYCOXNYSA-K |
Mol Weight | 800.67030785 g/mol |
Molecular Formula | C32H19N4Na3O11S3 |
Exact Mass | 799.990554 g/mol |
SpectraBase Spectrum ID | 9PZvdeDKlEN |
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Name | 2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-[[4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo], trisodium salt |
CAS Registry Number | 6507-83-1 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C32H19N4Na3O11S3 |
InChI | InChI=1S/C32H22N4O11S3.3Na/c37-31-26-4-2-1-3-25(26)28(49(42,43)44)17-27(31)35-33-21-9-5-18(6-10-21)19-7-11-22(12-8-19)34-36-30-29(50(45,46)47)16-20-15-23(48(39,40)41)13-14-24(20)32(30)38;;;/h1-17,37-38H,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b35-33+,36-34+;;; |
InChIKey | IUPYJBBPDBXWBW-BCYCOXNYSA-K |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |