chempirical

C.I. Acid violet 43

C21H14NNaO6SCAS 4430-18-6431.39 g/mol

Open in Covalent MOL file
NHOHOOSO−OONa+
KetonePhenolSecondary amineSulfonic acid

Properties

Molecular formula
C21H14NNaO6S
Molar mass
431.39 g/mol
Exact mass
431.0440 Da
logP
3.09Crippen estimate
Polar surface area
120.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
3

Identifiers

CAS number
4430-18-6
SMILES
Cc1ccc(Nc2ccc(O)c3C(=O)c4ccccc4C(=O)c23)c(S([O-])(=O)=O)c1.[Na+]
InChIKey
YYAFILJFRSOXDT-UHFFFAOYSA-N
InChI
InChI=1S/C21H15NO6S.Na/c1-11-6-7-14(17(10-11)29(26,27)28)22-15-8-9-16(23)19-18(15)20(24)12-4-2-3-5-13(12)21(19)25;/h2-10,22-23H,1H3,(H,26,27,28);

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Type any one amount. The others follow from the molar mass.

Names and synonyms

60 names · show all
  • Benzenesulfonic acid, 2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methyl-, sodium salt (1:1)
  • m-Toluenesulfonic acid, 6-[(4-hydroxy-1-anthraquinonyl)amino]-, monosodium salt
  • Benzenesulfonic acid, 2-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]-5-methyl-, monosodium salt
  • m-Toluenesulfonic acid, 6-[(4-hydroxy-1-anthraquinonyl)amino]-, sodium salt
  • C.I. 60730
  • Acid alizarine violet R
  • Ahcoquinone blue IR
  • Alizarine brilliant violet R
  • Alizarine irisol R
  • Alizarine irisol RD
  • Alizarine light violet B
  • Alizarine light violet RS
  • Alizarine purple RS
  • Alizarine violanol R
  • Alizarine violet NR
  • Allzurol purple
  • Anthraquinone iris R
  • Diacid light violet RS
  • Erio anthracene cyanine JR
  • Erio fast cyanine JR
  • Erionyl cyanine E-JR
  • Ext D and C violet no. 2
  • Fenalan violet 3B
  • Hastings light fast violet IRS
  • Kiton fast violet R
  • Solanol violet 3B
  • Solway purple R
  • Solway purple RA
  • Suminol levelling violet 3B
  • Supracen violet 3B
  • 11362 Violet
  • Vondacid light violet 3B
  • Acid violet anthraquinone
  • Acid violet 43
  • 4-Hydroxy-1-(4-methyl-2-sulfoanilino)anthraquinone sodium salt
  • Alizarin violanol R
  • Chrome violet anthraquinone
  • Japan purple 401
  • Japan purple no. 401
  • Japan violet 401
  • Japan violet no. 401
  • Alizarine purple
  • Solway purple
  • Violet no. 401
  • Ext D & C violet 2
  • External violet 2
  • Ext D&C violet no. 2-90131
  • Ext D&C violet no. 2W098
  • Violet anthraquinone
  • Triacid light violet 3B
  • Elbenyl violet C-RL
  • Alizarine violet 38017
  • External D and C violet 2
  • Ext D&C violet no. 2-38017
  • Egacid violet 3B
  • Covasol violet W 5002
  • External D&C violet 2-308-139
  • Violet 401
  • Unicert violet K 7116J
  • Purple no. 401

Work with C.I. Acid violet 43

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Acid green 254403-90-186 % similar Solvent violet 1381-48-160 % similar Acid red 804478-76-659 % similar Acid blue 804474-24-252 % similar C.I. Mordant black 131324-21-649 % similar Alizarin red S130-22-349 % similar Acid blue 256408-78-248 % similar Quinizarine green ss128-80-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook