Basic information
- CAS
25180-23-8- Standard SMILES
COc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(O)c4c3O)c(OC)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O- InChIKey
QKCQTSMOZQZOJP-UHFFFAOYSA-N- Molecular formula
- C34H26N4O18S4
- Average molar mass
- 906.9 g/mol
- Monoisotopic mass
- 906.01249469
Names & identifiers
- Preferred name
- 3,3'-[(3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis(4,5-dihydroxynaphthalene-2,7-disulfonic acid)
- IUPAC
- 3-[[4-[4-[(1,8-dihydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
25180-23-83,3'-[(3,3'-Dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(diazene-2,1-diyl)]bis(4,5-dihydroxynaphthalene-2,7-disulfonic acid)DTXSID60859854
Database identifiers
- CAS
25180-23-8- PubChem CID
- 20175
- DTXSID
DTXSID60859854- EC Number
- 607-589-9
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 400 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 11
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,880
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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