Acid blue 80

C32H28N2Na2O8S2CAS 4474-24-2678.68 g/mol

Open in Covalent MOL file
SO−OONHNHSO−OOOONa+Na+
KetoneSecondary amineSulfonic acid

Properties

Molecular formula
C32H28N2Na2O8S2
Molar mass
678.68 g/mol
Exact mass
678.1082 Da
logP
5.53Crippen estimate
Polar surface area
166.9 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
4474-24-2
SMILES
Cc1cc(C)c(S([O-])(=O)=O)c(C)c1Nc1ccc(Nc2c(C)cc(C)c(S([O-])(=O)=O)c2C)c2C(=O)c3ccccc3C(=O)c12.[Na+].[Na+]
InChIKey
UHXQPQCJDDSMCB-UHFFFAOYSA-L
InChI
InChI=1S/C32H30N2O8S2.2Na/c1-15-13-17(3)31(43(37,38)39)19(5)27(15)33-23-11-12-24(26-25(23)29(35)21-9-7-8-10-22(21)30(26)36)34-28-16(2)14-18(4)32(20(28)6)44(40,41)42;;/h7-14,33-34H,1-6H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

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Names and synonyms

46 names · show all
  • Benzenesulfonic acid, 3,3′-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-trimethyl-, sodium salt (1:2)
  • 2-Mesitylenesulfonic acid, 4,4′-(1,4-anthraquinonylenediimino)di-, disodium salt
  • Benzenesulfonic acid, 3,3′-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-trimethyl-, disodium salt
  • C.I. 61585
  • Alizarine fast blue R
  • Alizarine milling blue R
  • Brilliant alizarine milling blue BL
  • C.I. Acid blue 80
  • Polar brilliant blue RAW
  • Acid anthraquinone brilliant blue
  • Nylosan blue F-L
  • Nylosan blue C-L
  • Acid brilliant blue anthraquinone
  • Stenolana brilliant blue BL
  • Atlantic alizarine milling blue RB
  • Acid brilliant blue RAWL
  • Endanil blue B
  • C-WR Blue 10
  • Polar brilliant blue RAWL
  • Coomassie blue B
  • Weak acid brilliant blue RAW
  • Nylosan blue F-L 150
  • Sandolan milling blue N-BL
  • Sandolan milling N-BL
  • Anadurm blue M-BL
  • Blue RAW
  • Elite brilliant blue RAW
  • Tracid brilliant blue RAW
  • Brilliant blue anthraquinone
  • Naphthazine blue BL
  • Lerui acid brilliant blue RAWL
  • Triacid fast milling blue RAW
  • Polar blue RAWL
  • Suracid blue RW
  • Kenanthrol blue BL
  • Acid brilliant blue RAW
  • Elbenyl blue C-BN
  • Rybacid blue R
  • Best acid milling blue NBL
  • Youhaotracid brilliant blue RAWL
  • Acid milling blue RAW
  • Vicoacid blue 80
  • Iragon blue ABHL 80
  • Weak acid brilliant blue RAWL
  • Dycosweak acid brilliant blue RAW
  • Sanolin blue NBL

Work with Acid blue 80

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 254403-90-158 % similar Solvent blue 104116-75-656 % similar C.I. Acid violet 434430-18-652 % similar Acid blue 406424-85-748 % similar Acid blue 256408-78-246 % similar 1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-anthracenedione32724-62-245 % similar Quinizarine green ss128-80-344 % similar Sodium anthraquinone-1-sulfonate128-56-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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