Basic information
- CAS
72906-34-4- Standard SMILES
O=C(Nc1ccc2c(O)c(N=Nc3ccc(C(=O)O)cc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(N=Nc3ccc(C(=O)O)cc3)c(S(=O)(=O)O)cc2c1.OCCNCCO.OCCNCCO.OCCNCCO.OCCNCCO- InChIKey
QMRHMJGMFDCWMK-UHFFFAOYSA-N- Molecular formula
- C51H68N10O21S2
- Average molar mass
- 1,221.3 g/mol
- Monoisotopic mass
- 1,220.40019156
Names & identifiers
- Preferred name
- Benzoic acid, 4,4'-(carbonylbis(imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl))bis-, compd. with 2,2'-iminobis(ethanol) (1:4)
- IUPAC
- 4-[[6-[[6-[(4-carboxyphenyl)diazenyl]-5-hydroxy-7-sulfonaphthalen-2-yl]carbamoylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]benzoic acid;tetrakis(2-(2-hydroxyethylamino)ethanol)
Names & synonyms
72906-34-4EINECS 276-998-94,4'-Ureylenebis((1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2-azo)dibenzoic acid, diethanolamine salt (1:4)RefChem:565816DTXSID50726424,4'-(Carbonylbis(imino(1-hydroxynaphthalene-6,2-diyl-3-sulpho)azo))bisbenzoic acid, compound with 2,2'-iminobis(ethanol) (1:4)4,4'-{Carbonylbis[azanediyl(1-hydroxy-3-sulfonaphthalene-6,2-diyl)diazene-2,1-diyl]}dibenzoic acid--2,2'-azanediyldi(ethan-1-ol) (1/4)
Database identifiers
- CAS
72906-34-4- PubChem CID
- 175251
- DTXSID
DTXSID5072642- EC Number
- 276-998-9
Properties
Computed structural properties
- Topological polar surface area
- 541 Ų
- Hydrogen bond donors
- 20
- Hydrogen bond acceptors
- 29
- Rotatable bonds
- 26
- Heavy atoms
- 84
- Formal charge
- 0
- Complexity
- 1,610
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4,4'-[carbonylbis[imino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl]]bis-, 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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