Basic information
- CAS
73003-81-3- Standard SMILES
CCOC(=O)c1cc(OS(=O)(=O)c2cccc3c([O-])c([N+]#N)ccc23)c(OS(=O)(=O)c2cccc3c([O-])c([N+]#N)ccc23)c(OS(=O)(=O)c2cccc3c([O-])c([N+]#N)ccc23)c1- InChIKey
HLAAGTOTKUVPJQ-UHFFFAOYSA-N- Molecular formula
- C39H22N6O14S3
- Average molar mass
- 894.8 g/mol
- Monoisotopic mass
- 894.03561292
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl)oxy)-, ethyl ester
- IUPAC
- 5-[2,3-bis[(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy]-5-ethoxycarbonylphenoxy]sulfonyl-2-diazonionaphthalen-1-olate
- English name
- ethyl 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl]oxy]benzoate
- Molecular formula
- C39H22N6O14S3
- Molecular weight
- 894.81878
Names & synonyms
EINECS 277-206-4Benzoic acid, 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl]oxy]-, ethyl esterDTXSID6072710Ethyl 3,4,5-tris(1-naphthalenesulfoxy-6-diazo-5,6-dihydro-5-oxo)benzoateBenzoic acid, 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl)oxy)-, ethyl esterRefChem:565702DTXCID304747173003-81-3HLAAGTOTKUVPJQ-UHFFFAOYSA-NNS00037462Ethyl 3,4,5-tris(((6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl)oxy)benzoateEthyl 3,4,5-tris[(6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonyl)oxy]benzoate
Show more names
ethyl 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthyl)sulphonyl]oxy]benzoate3,4,5-Tris[[[(6-diazo-5,6-dihydro-5-oxonaphthalen)-1-yl]sulfonyl]oxy]benzoic acid ethyl ester
Properties
Computed structural properties
- XLogP
- 12
- Topological polar surface area
- 335 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 12
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 2,040
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzoic acid, 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl]oxy]-, ethyl ester (73003-81-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 3,4,5-tris[[(6-diazo-5,6-dihydro-5-oxo-1-naphthalenyl)sulfonyl]oxy]-, ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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