4-Hydroxy-3-((2-methoxy-5-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acid
Basic information
- CAS
19694-06-5- Standard SMILES
COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1O- InChIKey
RHFVYRXTYMIXOQ-UHFFFAOYSA-N- Molecular formula
- C19H18N2O14S4
- Average molar mass
- 626.6 g/mol
- Monoisotopic mass
- 625.96408795
Names & identifiers
- Preferred name
- 4-Hydroxy-3-((2-methoxy-5-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acid
- IUPAC
- 4-hydroxy-3-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
Names & synonyms
19694-06-5EINECS 243-230-94-Hydroxy-3-((2-methoxy-5-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acidSCHEMBL13880657RHFVYRXTYMIXOQ-UHFFFAOYSA-NDTXSID701111144NS000476164-Hydroxy-3-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid
Database identifiers
- CAS
19694-06-5- PubChem CID
- 88199
- DTXSID
DTXSID701111144- EC Number
- 243-230-9
- Nikkaji
- J225.250C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 294 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,310
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