chempirical

Acid brown M

C26H16N4Na2O8S2CAS 5850-16-8622.53 g/mol

Open in Covalent MOL file
O−SOONNOHNNSO−OOHONa+Na+
AzoPhenolSulfonic acid

Properties

Molecular formula
C26H16N4Na2O8S2
Molar mass
622.53 g/mol
Exact mass
622.0205 Da
logP
5.97Crippen estimate
Polar surface area
198.6 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
6

Identifiers

CAS number
5850-16-8
SMILES
[O-]S(=O)(=O)c1ccc(N=Nc2ccc(O)c(N=Nc3ccc(S([O-])(=O)=O)c4ccccc34)c2O)c2ccccc12.[Na+].[Na+]
InChIKey
LKXWTCDNCMRMLN-UHFFFAOYSA-N
InChI
InChI=1S/C26H18N4O8S2.2Na/c31-22-12-9-21(29-27-19-10-13-23(39(33,34)35)17-7-3-1-5-15(17)19)26(32)25(22)30-28-20-11-14-24(40(36,37)38)18-8-4-2-6-16(18)20;;/h1-14,31-32H,(H,33,34,35)(H,36,37,38);;

Weigh it out

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

Names and synonyms

60 names · show all
  • 1-Naphthalenesulfonic acid, 4,4′-[(2,4-dihydroxy-1,3-phenylene)bis(2,1-diazenediyl)]bis-, sodium salt (1:2)
  • C.I. Acid Brown 14, disodium salt
  • 1-Naphthalenesulfonic acid, 4,4′-[(2,4-dihydroxy-1,3-phenylene)bis(azo)]bis-, disodium salt
  • C.I. 20195
  • Aciderm brown GRF
  • Acid leather brown CM
  • Amacid resorcine brown 2R
  • Atul resorcine brown RD
  • Brasilan brown RN
  • Brown 5EMBL
  • Calcocid brown RD extra
  • Coriamine brown 3R
  • Crispin brown W
  • Curol brown R
  • Dermina brown G
  • Fenazo brown N
  • Hexaderm brown DA
  • Hidacid resorcin brown R
  • Hispacid brown RRN
  • Mitsui acid brown R
  • Mitsui acid brown 3R
  • Naphthalene leather brown AD
  • Nitto acid brown RX
  • Resorcin brown RN
  • Resorcine brown R
  • Resorcine brown 3R extra
  • Resorcine brown RN
  • Resorcine brown sodium
  • Shikiso acid brown RX
  • Solar brown RX
  • Resorcin brown R
  • C.I. Acid brown 14
  • Best acid brown R
  • Leather brown RRN
  • Indacid resorcine brown RD
  • Fabracid resorcine brown S-R
  • Acid brown RD
  • Acid resorcine brown RD
  • Formo brown BRF
  • Acid brown GR
  • Takaoka acid brown RX
  • Dermacid brown LRN
  • Kemacid resorcinol brown RD
  • Coriamin brown E 2R
  • Concorde acid brown L-R
  • Acid TSA brown 14
  • Atul acid brown NR
  • Multicuer brown MNA
  • Sandolan brown E-R
  • Colocid brown RD
  • Lecotan brown GRH
  • Acid brown R
  • Eniavel brown RN
  • Albion leather brown RD
  • Pacid brown RD
  • Dinacid resourcine brown RD
  • Anadurm brown A-D
  • Concorde leather brown LRN
  • Acid brown RD resorcine
  • Acid brown 14

Work with Acid brown M

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 red 881658-56-677 % similar Azorubine3567-69-969 % similar Ponceau 4R2611-82-767 % similar Amaranth (dye)915-67-363 % similar Sodium 1-naphthol-4-sulfonate6099-57-661 % similar C.I. Mordant black 172538-85-457 % similar Acid orange 20523-44-456 % similar Sodium 5-hydroxy-1-naphthalenesulfonate5419-77-251 % similar

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

Elsewhere

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