chempirical

Zincon sodium salt

C20H15N4NaO6SCAS 62625-22-3462.41 g/mol

Open in Covalent MOL file
O−ONHNNNSOOOHOHNa+
AzoCarboxylic acidHydrazonePhenolSecondary amineSulfonic acid

Properties

Molecular formula
C20H15N4NaO6S
Molar mass
462.41 g/mol
Exact mass
462.0610 Da
logP
3.51Crippen estimate
Polar surface area
161.0 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
6

Identifiers

CAS number
62625-22-3
SMILES
[O-]C(=O)c1ccccc1NN=C(N=Nc1cc(S(=O)(=O)O)ccc1O)c1ccccc1.[Na+]
InChIKey
CGXPURSFQICISI-UHFFFAOYSA-N
InChI
InChI=1S/C20H16N4O6S.Na/c25-18-11-10-14(31(28,29)30)12-17(18)22-24-19(13-6-2-1-3-7-13)23-21-16-9-5-4-8-15(16)20(26)27;/h1-12,21,25H,(H,26,27)(H,28,29,30);

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 2-[2-[[2-(2-hydroxy-5-sulfophenyl)diazenyl]phenylmethylene]hydrazinyl]-, sodium salt (1:1)
  • Benzoic acid, 2-[1-(2-hydroxy-5-sulfophenyl)-3-phenyl-5-formazano]-, monosodium salt
  • Benzoic acid, 2-[[[(2-hydroxy-5-sulfophenyl)azo]phenylmethylene]hydrazino]-, monosodium salt
  • Zincon monosodium salt

Work with Zincon sodium salt

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

Zincon135-52-475 % similar Sodium m-sulfobenzoate17625-03-544 % similar C.I. Mordant yellow 106054-99-539 % similar Sodium salicylate54-21-737 % similar Olsalazine sodium6054-98-436 % similar Sodium 3-hydroxy-2-naphthoate14206-62-335 % similar Diphenyl brown GR3811-71-035 % similar 5-Sulfosalicylic acid97-05-234 % similar

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

Elsewhere

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