Basic information
- CAS
72906-52-6- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccccc4)c(O)c23)cc1.Cc1ccccc1N=C(N)Nc1ccccc1C.Cc1ccccc1N=C(N)Nc1ccccc1C- InChIKey
UFVPPDQXDAQILZ-UHFFFAOYSA-N- Molecular formula
- C53H53N9O9S3
- Average molar mass
- 1,056.2 g/mol
- Monoisotopic mass
- 1,055.31283782
Overview
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Names & identifiers
- Preferred name
- 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-3-(2-phenyldiazenyl)-, compd. with N,N'-bis(2-methylphenyl)guanidine (1:2)
- IUPAC
- bis(1,2-bis(2-methylphenyl)guanidine);4-hydroxy-5-[(4-methylphenyl)sulfonylamino]-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
Names & synonyms
EINECS 277-005-1RefChem:44626172906-52-6DTXSID00726454-Hydroxy-3-(phenylazo)-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid, compound with N,N'-di(o-tolyl)guanidine (1:2)4-Hydroxy-5-(4-methylbenzene-1-sulfonamido)-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid--N,N'-bis(2-methylphenyl)guanidine (1/2)
Database identifiers
- CAS
72906-52-6- PubChem CID
- 175258
- DTXSID
DTXSID0072645- EC Number
- 277-005-1
Properties
Computed structural properties
- Topological polar surface area
- 326 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 13
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 1,450
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-3-(2-phenyldiazenyl)-, compd. with N,N'-bis(2-methylphenyl)guanidine (1:2): INACTIVE
Related reactions
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Compound notes
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