7-Hydroxy-8-((4-(1-(4-((4-hydroxyphenyl)azo)phenyl)cyclohexyl)phenyl)azo)naphthalene-1,3-disulphonic acid
Basic information
- CAS
93919-33-6- Standard SMILES
O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(N=Nc3ccc(C4(c5ccc(N=Nc6ccc(O)cc6)cc5)CCCCC4)cc3)c(O)ccc2c1- InChIKey
FAGWZRMPTWLSNE-UHFFFAOYSA-N- Molecular formula
- C34H30N4O8S2
- Average molar mass
- 686.8 g/mol
- Monoisotopic mass
- 686.15050628
Names & identifiers
- Preferred name
- 7-Hydroxy-8-((4-(1-(4-((4-hydroxyphenyl)azo)phenyl)cyclohexyl)phenyl)azo)naphthalene-1,3-disulphonic acid
- IUPAC
- 7-hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
- English name
- 7-hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)azo]phenyl]cyclohexyl]phenyl]azo]naphthalene-1,3-disulphonic acid
- Molecular formula
- C34H30N4O8S2
- Molecular weight
- 686.76
Names & synonyms
EINECS 300-019-793919-33-67-Hydroxy-8-((4-(1-(4-((4-hydroxyphenyl)azo)phenyl)cyclohexyl)phenyl)azo)naphthalene-1,3-disulphonic acidSCHEMBL14022706DTXSID00863894FAGWZRMPTWLSNE-UHFFFAOYSA-NNS000921127-Hydroxy-8-({3~4~-[(4-hydroxyphenyl)diazenyl]-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~-yl}diazenyl)naphthalene-1,3-disulfonic acid7-Hydroxy-8-[2-[4-[1-[4-[2-(4-hydroxyphenyl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-1,3-naphthalenedisulfonic acid7-Hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)azo]phenyl]cyclohexyl]phenyl]azo]-1,3-naphthalenedisulfonic acid7-hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)azo]phenyl]cyclohexyl]phenyl]azo]naphthalene-1,3-disulphonic acid
Database identifiers
- CAS
93919-33-6- PubChem CID
- 81003
- DTXSID
DTXSID00863894- EC Number
- 300-019-7
- Nikkaji
- J313.732E
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 215 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,340
Physicochemical properties
- Density
- 1.489 · 1.489±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.084 · -0.084±0.40(predicted)
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Compound notes
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