Basic information
- CAS
72245-59-1- Standard SMILES
COc1cc(N=Nc2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)cc2)c(C)cc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O.[Na+].[Na+].[Na+].[Na+]- InChIKey
KEPYBJDLQYBBRK-UHFFFAOYSA-J- Molecular formula
- C34H24N8Na4O15S4
- Average molar mass
- 1,004.8 g/mol
- Monoisotopic mass
- 1,003.9834739
Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4-[2-[4-[2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:4)
- IUPAC
- tetrasodium;5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
- English name
- tetrasodium 5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulphonato-2-naphthyl)azo]-5-methoxy-o-tolyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate
- Molecular formula
- C34H24N8Na4O15S4
- Molecular weight
- 1004.81804
Names & synonyms
72245-59-1DTXSID10890212EINECS 276-530-32,7-Naphthalenedisulfonic acid, 5-amino-3-((4-((4-((8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-5-methoxy-2-methylphenyl)azo)phenyl)azo)-4-hydroxy-, tetrasodium salt2,7-Naphthalenedisulfonic acid, 5-amino-3-(2-(4-(2-(4-(2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-5-methoxy-2-methylphenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:4)2,7-Naphthalenedisulfonic acid, 5-amino-3-[2-[4-[2-[4-[2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:4)5-Amino-4-hydroxy-3-((4-((4-((5-amino-4-hydroxy-2,7-disulfo-3-naphthalenyl)azo)phenyl))azo)-2-methoxy-5-methylphenyl)azo)-2,7-naphthalenedisulfonic acid, tetrasodium salt2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo]-5-methoxy-2-methylphenyl]azo]phenyl]azo]-4-hydroxy-, tetrasodium salt
Properties
Computed structural properties
- Topological polar surface area
- 438 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 7
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 2,030
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo]-5-methoxy-2-methylphenyl]azo]phenyl]azo]-4-hydroxy-, tetrasodium salt (72245-59-1)
- 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-3-[2-[4-[2-[4-[2-(8-amino-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:4): INACTIVE
Related reactions
0 records
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Compound notes
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