CID 175330
Cuprate(4-), (mu-((7,7'-((3,3'-di(hydroxy-kappao)(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl-kappan1))bis(8-(hydroxy-kappao)-1,6-naphthalenedisulfonato))(8-)))di-, sodium (1:4)
Structural Information
- Molecular Formula
- C32H22N4O16S4
- SMILES
- C1=CC2=CC(=C(C(=C2C(=C1)S(=O)(=O)O)O)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N=NC5=C(C=C6C=CC=C(C6=C5O)S(=O)(=O)O)S(=O)(=O)O)O)O)S(=O)(=O)O
- InChI
- InChI=1S/C32H22N4O16S4/c37-21-11-15(7-9-19(21)33-35-29-25(55(47,48)49)13-17-3-1-5-23(53(41,42)43)27(17)31(29)39)16-8-10-20(22(38)12-16)34-36-30-26(56(50,51)52)14-18-4-2-6-24(54(44,45)46)28(18)32(30)40/h1-14,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)
- InChIKey
- UIFFUUBJHFRYSU-UHFFFAOYSA-N
- Compound name
- 8-hydroxy-7-[[2-hydroxy-4-[3-hydroxy-4-[(1-hydroxy-3,8-disulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,6-disulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 846.99868 | 268.2 |
[M+Na]+ | 868.98062 | 283.2 |
[M-H]- | 844.98412 | 273.4 |
[M+NH4]+ | 864.02522 | 275.6 |
[M+K]+ | 884.95456 | 268.9 |
[M+H-H2O]+ | 828.98866 | 256.4 |
[M+HCOO]- | 890.98960 | 276.5 |
[M+CH3COO]- | 905.00525 | 279.1 |
[M+Na-2H]- | 866.96607 | 289.7 |
[M]+ | 845.99085 | 307.4 |
[M]- | 845.99195 | 307.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.