3-((3,3'-Dimethyl-4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid
Basic information
- CAS
93804-34-3- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)ccc6c5O)c(C)c4)cc3C)cc2)cc1- InChIKey
RQUCHXISLVELAH-UHFFFAOYSA-N- Molecular formula
- C37H30N4O10S3
- Average molar mass
- 786.9 g/mol
- Monoisotopic mass
- 786.11240669
Names & identifiers
- Preferred name
- 3-((3,3'-Dimethyl-4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonic acid
- IUPAC
- 4-hydroxy-3-[[2-methyl-4-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
93804-34-3EINECS 298-409-4RQUCHXISLVELAH-UHFFFAOYSA-NDTXSID1011004923-((3,3'-Dimethyl-4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonic acidNS000639613-[2-[3,3a(2)-Dimethyl-4a(2)-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1a(2)-biphenyl]-4-yl]diazenyl]-4-hydroxy-2,7-naphthalenedisulfonic acid
Database identifiers
- CAS
93804-34-3- PubChem CID
- 136146397
- DTXSID
DTXSID101100492- EC Number
- 298-409-4
- Nikkaji
- J342.967I
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 247 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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