![1-Naphthalenesulfonic acid, 3-[[7-[[4'-[(1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-8-hydroxy-6-sulfo-2-naphthalenyl]azo]-4,5-dihydroxy-, trisodium salt](/api/spectrum/ElkbpIQyTKe/structure.png?h=300&w=458 "1-Naphthalenesulfonic acid, 3-[[7-[[4'-[(1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-8-hydroxy-6-sulfo-2-naphthalenyl]azo]-4,5-dihydroxy-, trisodium salt")
| SpectraBase Compound ID | KVamiyZydro |
|---|---|
| InChI | InChI=1S/C44H32N6O14S3.3Na/c1-21-15-23(10-13-30(21)46-49-33-20-37(66(59,60)61)28-6-4-8-35(52)40(28)44(33)55)24-11-14-31(22(2)16-24)47-50-41-38(67(62,63)64)17-25-9-12-26(18-29(25)42(41)53)45-48-32-19-36(65(56,57)58)27-5-3-7-34(51)39(27)43(32)54;;;/h3-20,51-55H,1-2H3,(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3/b48-45+,49-46?,50-47+;;; |
| InChIKey | CGQMHDASYXSVPF-FBHSEZNJSA-K |
| Mol Weight | 1030.89330785 g/mol |
| Molecular Formula | C44H29N6Na3O14S3 |
| Exact Mass | 1030.059696 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | ElkbpIQyTKe |
|---|---|
| Name | 1-Naphthalenesulfonic acid, 3-[[7-[[4'-[(1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-8-hydroxy-6-sulfo-2-naphthalenyl]azo]-4,5-dihydroxy-, trisodium salt |
| CAS Registry Number | 7082-31-7 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C44H29N6Na3O14S3 |
| InChI | InChI=1S/C44H32N6O14S3.3Na/c1-21-15-23(10-13-30(21)46-49-33-20-37(66(59,60)61)28-6-4-8-35(52)40(28)44(33)55)24-11-14-31(22(2)16-24)47-50-41-38(67(62,63)64)17-25-9-12-26(18-29(25)42(41)53)45-48-32-19-36(65(56,57)58)27-5-3-7-34(51)39(27)43(32)54;;;/h3-20,51-55H,1-2H3,(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3/b48-45+,49-46?,50-47+;;; |
| InChIKey | CGQMHDASYXSVPF-FBHSEZNJSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |