Calcomine Violet N
Basic information
- CAS
25188-44-7- Standard SMILES
Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1ccc(-c2ccc(N=Nc3c(N)ccc4cc(S(=O)(=O)O)cc(O)c34)cc2)cc1- InChIKey
MPTZYMIJXLJHHT-UHFFFAOYSA-N- Molecular formula
- C32H24N6O8S2
- Average molar mass
- 684.7 g/mol
- Monoisotopic mass
- 684.10970409
Names & identifiers
- Preferred name
- Calcomine Violet N
- IUPAC
- 6-amino-5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Names & synonyms
Calcomine Violet NChlorazol Violet NSCHEMBL14418348SCHEMBL26459720DTXSID50862993NSC75778NSC-757782-Naphthalenesulfonic acid,5'-[4,4'-biphenylylenebis(azo)]bis[6-amino-4-hydroxy-, disodium salt25188-44-72-Naphthalenesulfonic acid,5'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis[6-amino-4-hydroxy-, disodium salt5,5'-[[1,1'-Biphenyl]-4,4'-diylbis(diazene-2,1-diyl)]bis(6-amino-4-hydroxynaphthalene-2-sulfonic acid)
Database identifiers
- CAS
25188-44-7、2586-60-9- PubChem CID
- 416075
- DTXSID
DTXSID50862993- EC Number
- 607-627-4
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 267 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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