Basic information
- CAS
73003-85-7- Standard SMILES
Cc1cc(S(=O)(=O)O)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)cc(S(=O)(=O)O)cc4c3)ccc2c1O.OCCNCCO.OCCNCCO.OCCNCCO- InChIKey
KZSDHZZBDQRKEZ-UHFFFAOYSA-N- Molecular formula
- C40H55N7O18S3
- Average molar mass
- 1,018.1 g/mol
- Monoisotopic mass
- 1,017.27657145
Names & identifiers
- Preferred name
- Einecs 277-210-6
- IUPAC
- tris(2-(2-hydroxyethylamino)ethanol);4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-3-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
73003-85-7EINECS 277-210-6DTXSID10727114-Hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((2-methyl-4-sulfophenyl)azo)-2-naphthalenesulfonic acid, diethanolamine salt (1:3)4-Hydroxy-7-((((5-hydroxy-7-sulpho-2-naphthyl)amino)carbonyl)amino)-3-((2-methyl-4-sulphophenyl)azo)naphthalene-2-sulphonic acid, compound with 2,2'-iminobis(ethanol) (1:3)4-Hydroxy-7-{[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoyl]amino}-3-[(2-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid--2,2'-azanediyldi(ethan-1-ol) (1/3)
Database identifiers
- CAS
73003-85-7- PubChem CID
- 175378
- DTXSID
DTXSID1072711- EC Number
- 277-210-6
Properties
Computed structural properties
- Topological polar surface area
- 452 Ų
- Hydrogen bond donors
- 16
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 19
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 1,520
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-3-[2-(2-methyl-4-sulfophenyl)diazenyl]-, compd. with 2,2'-iminobis[ethanol] (1:3): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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