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Reference substances

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IUPAC name:
sodium 4-[[3-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Inventory

EC number:
274-675-7
EC name:
Sodium 4-[[3-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
CAS number:
70571-81-2
CAS number:
70571-81-2
Synonyms
Names:
2-Anthracenesulfonic acid, 4-[[3-(acetylamino)phenyl] amino]-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt
2-Anthracenesulfonic acid, 4-[[3-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt
Identifier:
IUPAC name
2-Anthracenesulfonic acid, 4-[[3-(acetylamino)­phenyl]­amino]-1-amino-9,10-dihydro-9,10-dioxo-, monosodium salt
Identifier:
other: Molecular formula
C22H16N3NaO6S
Identifier:
other: SMILES notation
O=S(C1=C(N)C(C2=O)=C(C(C3=C2C=CC=C3)=O)C(NC4=CC=CC(NC(C)=O)=C4)=C1)(O[Na])=O
sodium 4-[(3-acetamidophenyl)amino]-1-amino-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

Molecular and structural information

Molecular formula:
C22H17N3O6S.Na
Molecular weight:
473.434
SMILES notation:
[Na+].CC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O
InChl:
InChI=1/C22H17N3O6S.Na/c1-11(26)24-12-5-4-6-13(9-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-7-2-3-8-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1
Structural formula:
Chemical structure

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