2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-3-sulfophenyl)amino]-9,10-dioxo-, sodium salt (1:2)
Basic information
- CAS
77847-18-8- Standard SMILES
Cc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
AZSFXMVFSHEUTL-UHFFFAOYSA-L- Molecular formula
- C21H14N2Na2O8S2
- Average molar mass
- 532.5 g/mol
- Monoisotopic mass
- 531.99869632
Names & identifiers
- Preferred name
- 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-3-sulfophenyl)amino]-9,10-dioxo-, sodium salt (1:2)
- IUPAC
- disodium;1-amino-4-(4-methyl-3-sulfonatoanilino)-9,10-dioxoanthracene-2-sulfonate
Names & synonyms
77847-18-82-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methyl-3-sulfophenyl)amino)-9,10-dioxo-, disodium saltDTXSID608903882-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((4-methyl-3-sulfophenyl)amino)-9,10-dioxo-, sodium salt (1:2)2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-3-sulfophenyl)amino]-9,10-dioxo-, disodium salt2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-3-sulfophenyl)amino]-9,10-dioxo-, sodium salt (1:2)RefChem:85473DTXCID101079366AZSFXMVFSHEUTL-UHFFFAOYSA-LDisodium 1-amino-4-(4-methyl-3-sulfonatoanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Database identifiers
- CAS
77847-18-8- PubChem CID
- 44147243
- DTXSID
DTXSID60890388- Nikkaji
- J453.512J
Properties
Computed structural properties
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 976
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[(4-methyl-3-sulfophenyl)amino]-9,10-dioxo-, sodium salt (1:2): INACTIVE
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Related reactions
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Compound notes
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