2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-[4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, lithium salt (1:3)
Basic information
- CAS
67923-89-1- Standard SMILES
COc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(OC)c2)ccc1N=Nc1cc(S(=O)(=O)[O-])c2ccccc2c1O.[Li+].[Li+].[Li+]- InChIKey
JBHHMYUWMNUPAY-UHFFFAOYSA-K- Molecular formula
- C34H24Li3N5O13S3
- Average molar mass
- 827.7 g/mol
- Monoisotopic mass
- 827.1012847
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-[4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, lithium salt (1:3)
- IUPAC
- trilithium;5-amino-4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-2,7-disulfonate
- English name
- trilithium 5-amino-4-hydroxy-3-[[4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate
- Molecular formula
- C34H24Li3N5O13S3
- Molecular weight
- 827.59806
Names & synonyms
67923-89-1DTXSID20889894EINECS 267-794-02,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-6-((4'-((1-hydroxy-4-sulfo-2-naphthyl)azo)-3,3'-dimethoxy-4-biphenylyl)azo)-, trilithium salt2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-((4'-((1-hydroxy-4-sulfo-2-naphthalenyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)-, trilithium salt2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-(2-(4'-(2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)diazenyl)-, lithium salt (1:3)2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-[4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, lithium salt (1:3)2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[[4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trilithium saltRefChem:83551DTXCID501031415Trilithium 5-amino-4-hydroxy-3-((4'-((1-hydroxy-4-sulphonato-2-naphthyl)azo)-3,3'-dimethoxy(1,1'-biphenyl)-4-yl)azo)naphthalene-2,7-disulphonate
Properties
Computed structural properties
- Topological polar surface area
- 331 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 7
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,680
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[[4'-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trilithium salt (67923-89-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[2-[4'-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]diazenyl]-, lithium salt (1:3): INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…