chempirical

7,7′-(Carbonyldiimino)bis[4-hydroxy-2-naphthalenesulfonic acid]

C21H16N2O9S2CAS 134-47-4504.48 g/mol

Open in Covalent MOL file
OHNOHSOOHONHOHSOOOH
PhenolSulfonic acidUrea

Properties

Molecular formula
C21H16N2O9S2
Molar mass
504.48 g/mol
Exact mass
504.0297 Da
logP
3.54Crippen estimate
Polar surface area
190.3 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
4

Identifiers

CAS number
134-47-4
SMILES
O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1
InChIKey
PCGISRHGYLRXSR-UHFFFAOYSA-N
InChI
InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)

Weigh it out

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

Names and synonyms

17 names · show all
  • 2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-
  • 2-Naphthalenesulfonic acid, 7,7′-ureylenebis[4-hydroxy-
  • 1-Naphthol-3-sulfonic acid, 6,6′-ureylenebis-
  • I Acid urea
  • J Acid urea
  • N,N′-Bis[1-oxy-3-sulfonaphthyl(6)]urea
  • N,N′-Bis[1-hydroxy-3-sulfonaphthyl(6)]urea
  • N,N′-Bis(7-sulfo-5-hydroxy-2-naphthyl)urea
  • N,N′-Bis(5-hydroxy-7-sulfo-2-naphthyl)urea
  • 6,6′-Ureylenebis(1-naphthol-3-sulfonic acid)
  • Urea J acid
  • 7,7′-Ureylenebis(4-hydroxy-2-naphthalenesulfonic acid)
  • Scarlet acid
  • 5,5′-Dihydroxy-2,2′-dinaphthylcarbamide-7,7′-disulfonic acid
  • Carbonyl J
  • NSC 1699
  • NSC 45174

Work with 7,7′-(Carbonyldiimino)bis[4-hydroxy-2-naphthalenesulfonic acid]

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

N-Methyl J acid22346-43-668 % similar 2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-, sodium salt (1:2)20324-87-268 % similar Phenyl J acid119-40-465 % similar 1-Naphthol-3,6-disulfonic acid578-85-865 % similar 7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-558 % similar 7-Acetamido-4-hydroxy-2-naphthalenesulfonic acid6334-97-053 % similar Phenyl γ-acid119-19-752 % similar 4-Hydroxy-6-[(3-sulfophenyl)amino]-2-naphthalenesulfonic acid25251-42-751 % similar

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

Elsewhere

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