Basic information
- CAS
72906-32-2- Standard SMILES
Cc1cc(S(=O)(=O)O)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccc(C(=O)O)cc5)c(S(=O)(=O)O)cc4c3)ccc2c1O.OCCNCCO.OCCNCCO.OCCNCCO.OCCNCCO- InChIKey
HEABHVOKOJQEKZ-UHFFFAOYSA-N- Molecular formula
- C51H70N10O22S3
- Average molar mass
- 1,271.4 g/mol
- Monoisotopic mass
- 1,270.38282742
Names & identifiers
- Preferred name
- Tetrakis(2-(2-hydroxyethylamino)ethanol);4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid
- IUPAC
- tetrakis(2-(2-hydroxyethylamino)ethanol);4-[[1-hydroxy-6-[[5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid
Names & synonyms
72906-32-2DTXSID5072640EINECS 276-996-84-({1-Hydroxy-6-[({5-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-7-sulfonaphthalen-2-yl}carbamoyl)amino]-3-sulfonaphthalen-2-yl}diazenyl)benzoic acid--2,2'-azanediyldi(ethan-1-ol) (1/4)4-(1-Hydroxy-6-((5-hydroxy-6-(2-methyl-4-sulfophenylazo)-7-sulfo-2-naphthalenyl)aminocarbonylamino)-3-sulfo-2-naphthalenylazo)benzoic acid, diethanolamine salt (1:4)p-((1-Hydroxy-6-((((5-hydroxy-7-sulpho-6-((4-sulpho-o-tolyl)azo)-2-naphthyl)amino)carbonyl)amino)-3-sulpho-2-naphthyl)azo)benzoic acid, compound with 2,2'-iminodiethanol (1:4)
Database identifiers
- CAS
72906-32-2- PubChem CID
- 175249
- DTXSID
DTXSID5072640- EC Number
- 276-996-8
Properties
Computed structural properties
- Topological polar surface area
- 567 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 30
- Rotatable bonds
- 26
- Heavy atoms
- 86
- Formal charge
- 0
- Complexity
- 1,910
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-[2-[1-hydroxy-6-[[[[5-hydroxy-6-[2-(2-methyl-4-sulfophenyl)diazenyl]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-, compd. with 2,2'-iminobis[ethanol] (1:4): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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