m,m'-(Carbonylbis(imino(3-methoxy-p-phenylene)azo))bis(benzenesulphonic) acid, sodium salt, compound with 2,2',2''-nitrilotriethanol
Basic information
- CAS
93964-44-4- Standard SMILES
COc1cc(N=Nc2cccc(S(=O)(=O)O)c2)ccc1NC(=O)Nc1ccc(N=Nc2cccc(S(=O)(=O)O)c2)cc1OC.OCCN(CCO)CCO.[Na+]- InChIKey
INBUGUGIPDACMM-UHFFFAOYSA-N- Molecular formula
- C33H39N7NaO12S2+
- Average molar mass
- 812.8 g/mol
- Monoisotopic mass
- 812.19958133
Names & identifiers
- Preferred name
- m,m'-(Carbonylbis(imino(3-methoxy-p-phenylene)azo))bis(benzenesulphonic) acid, sodium salt, compound with 2,2',2''-nitrilotriethanol
- IUPAC
- sodium;2-[bis(2-hydroxyethyl)amino]ethanol;3-[[3-methoxy-4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonic acid
Names & synonyms
EINECS 300-891-993964-44-4m,m'-(Carbonylbis(imino(3-methoxy-p-phenylene)azo))bis(benzenesulphonic) acid, sodium salt, compound with 2,2',2''-nitrilotriethanolDTXSID20239991M,m'-[carbonylbis[imino(3-methoxy-p-phenylene)azo]]bis(benzenesulphonic) acid, sodium salt, compound with 2,2',2''-nitrilotriethanolRefChem:800325DTXCID70162482300-891-9
Database identifiers
- CAS
93964-44-4- PubChem CID
- 56841303
- DTXSID
DTXSID20239991- EC Number
- 300-891-9
Properties
Computed structural properties
- Topological polar surface area
- 298 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 16
- Heavy atoms
- 55
- Formal charge
- 1
- Complexity
- 1,190
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
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Compound notes
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