Tetrasodium;6-amino-5-hydroxy-4-[[4-[4-[(4-hydroxy-3,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-1,7-disulfonate
Basic information
- CAS
68084-21-9- Standard SMILES
COc1cc(-c2ccc(N=Nc3ccc(S(=O)(=O)[O-])c4cc(S(=O)(=O)[O-])c(N)c(O)c34)c(OC)c2)ccc1N=Nc1cc2c(S(=O)(=O)[O-])cccc2c(O)c1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]- InChIKey
NQIPRJGSMNHRJP-UHFFFAOYSA-J- Molecular formula
- C34H23N5Na4O16S4
- Average molar mass
- 977.8 g/mol
- Monoisotopic mass
- 976.9613415
Names & identifiers
- Preferred name
- Tetrasodium;6-amino-5-hydroxy-4-[[4-[4-[(4-hydroxy-3,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-1,7-disulfonate
- IUPAC
- tetrasodium;6-amino-5-hydroxy-4-[[4-[4-[(4-hydroxy-3,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]naphthalene-1,7-disulfonate
Database identifiers
- CAS
68084-21-9- PubChem CID
- 106549
Properties
Computed structural properties
- Topological polar surface area
- 397 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 7
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,930
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Compound notes
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