Basic information
- CAS
72152-65-9- Standard SMILES
Cc1ccc2nc(-c3ccc(N=Nc4cc(N=Nc5cc(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])c(N=Nc7ccc(N=Nc8ccc(S(=O)(=O)[O-])cc8)c(S(=O)(=O)[O-])c7)c(O)c56)c(O)cc4O)cc3S(=O)(=O)[O-])sc2c1.[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
NLKWMNQDZZJOEB-UHFFFAOYSA-I- Molecular formula
- C42H24N9Na5O18S6
- Average molar mass
- 1,250 g/mol
- Monoisotopic mass
- 1,248.9052034
Overview
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Names & identifiers
- Preferred name
- Pentasodium 5-((2,4-dihydroxy-5-((4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl)azo)phenyl)azo)-4-hydroxy-3-((3-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2,7-disulphonate
- IUPAC
- pentasodium;5-[[2,4-dihydroxy-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)-3-sulfonatophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[[3-sulfonato-4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
- English name
- pentasodium 5-[[2,4-dihydroxy-5-[[4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate
- Molecular formula
- C42H30N9NaO18S6
- Molecular weight
- 1164.1
Names & synonyms
72152-65-9DTXSID701340604EINECS 276-417-9Pentasodium 5-((2,4-dihydroxy-5-((4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl)azo)phenyl)azo)-4-hydroxy-3-((3-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2,7-disulphonateNS000619732,7-Naphthalenedisulfonic acid, 5-(2-(2,4-dihydroxy-5-(2-(4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-3-(2-(3-sulfo-4-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:5)5-[2-[2,4-Dihydroxy-5-[2-[4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-[3-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid sodium (1:5)2,7-naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[[4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulfo-4-[(4-sulfophenyl)azo]5-[[2,4-Dihydroxy-5-[[4-(6-methylbenzothiazol-2-yl)-3-sulfophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-2,7-naphthalenedisulfonic acid pentasodium salt
Properties
Computed structural properties
- Topological polar surface area
- 529 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 28
- Rotatable bonds
- 9
- Heavy atoms
- 80
- Formal charge
- 0
- Complexity
- 2,640
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[[4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulfo-4-[(4-sulfophenyl)azo]phenyl]azo]-, pentasodium salt (72152-65-9)
- 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-[2-[2,4-dihydroxy-5-[2-[4-(6-methyl-2-benzothiazolyl)-3-sulfophenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-3-[2-[3-sulfo-4-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:5): INACTIVE
Related reactions
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Compound notes
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