2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-, phenyl ester
Basic information
- CAS
56222-83-4- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Oc3ccccc3)c(N)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
XRCIHAXFOYOKAF-UHFFFAOYSA-N- Molecular formula
- C27H20N2O7S2
- Average molar mass
- 548.6 g/mol
- Monoisotopic mass
- 548.07119333
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-, phenyl ester
- IUPAC
- phenyl 1-amino-4-[(4-methylphenyl)sulfonylamino]-9,10-dioxoanthracene-2-sulfonate
- English name
- 1-Amino-4-(4-methylphenylsulfonamido)-2-anthraquinonesulfonic acid,phe nyl ester
- Molecular formula
- C27H20N2O7S2
- Molecular weight
- 548.59
Names & synonyms
2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-, phenyl esterDTXSID10690871-Amino-4-(4-methylphenylsulfonamido)-2-anthraquinonesulfonic acid, phenyl ester2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-(((4-methylphenyl)sulfonyl)amino)-9,10-dioxo-, phenyl esterRefChem:465327DTXCID004203256222-83-4XRCIHAXFOYOKAF-UHFFFAOYSA-NPhenyl 1-amino-4-(4-methylbenzene-1-sulfonamido)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate1-Amino-4-(4-methylphenylsulfonamido)-2-anthraquinonesulfonic acid,phe nyl ester1-Amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-2-anthracenesulfonic acid phenyl ester
Database identifiers
- CAS
56222-83-4- PubChem CID
- 92069
- DTXSID
DTXSID1069087- Nikkaji
- J429.311H
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,100
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-, phenyl ester (56222-83-4)
- 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 Information2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulfonyl]amino]-9,10-dioxo-, phenyl ester: INACTIVE
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Related reactions
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Compound notes
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