Hexasodium 2,2'-(vinylenebis((3-sulphonato-4,1-phenylene)imino(6-morpholino-1,3,5-triazine-4,2-diyl)imino))bis(benzene-1,4-disulphonate)
Basic information
- CAS
52301-70-9- Standard SMILES
O=S(=O)([O-])c1ccc(S(=O)(=O)[O-])c(Nc2nc(Nc3ccc(/C=C/c4ccc(Nc5nc(Nc6cc(S(=O)(=O)[O-])ccc6S(=O)(=O)[O-])nc(N6CCOCC6)n5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)nc(N3CCOCC3)n2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
AMECABTUOXBYGQ-IRTUOLCXSA-H- Molecular formula
- C40H34N12Na6O20S6
- Average molar mass
- 1,333.1 g/mol
- Monoisotopic mass
- 1,331.9722743
Names & identifiers
- Preferred name
- Hexasodium 2,2'-(vinylenebis((3-sulphonato-4,1-phenylene)imino(6-morpholino-1,3,5-triazine-4,2-diyl)imino))bis(benzene-1,4-disulphonate)
- IUPAC
- hexasodium;2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
Names & synonyms
1,4-Benzenedisulfonic acid, 2,2'-(1,2-ethenediylbis((3-sulfo-4,1-phenylene)imino(6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl)imino))bis-, hexasodium salt1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium saltHexasodium 2,2'-(vinylenebis((3-sulphonato-4,1-phenylene)imino(6-morpholino-1,3,5-triazine-4,2-diyl)imino))bis(benzene-1,4-disulphonate)Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-morpholino-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)RefChem:787448257-827-7EINECS 257-827-7SCHEMBL16942542,2'-vinylenebis(3-sulphonato-4,1-phenylene)imino6-morpholino-1,3,5-triazine-4,2-diyliminobis(benzene-1,4-disulphon ate) (sodium salt)
Database identifiers
- CAS
52301-70-9- PubChem CID
- 6441010
- EC Number
- 257-827-7
Properties
Computed structural properties
- Topological polar surface area
- 544 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 32
- Rotatable bonds
- 12
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 2,480
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 97.1% (132 of 136) of all reports.
Not Classified
Aggregated GHS information provided per 136 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt
REACH registered substance: Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-morpholino-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate) (EC: 257-827-7)
1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(4-morpholinyl)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Related reactions
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Compound notes
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