2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-, sodium salt (1:2)

C21H14N2Na2O9S2CAS 20324-87-2548.45 g/mol

Open in Covalent MOL file
O−SOOOHHNOHNOHSO−OONa+Na+
PhenolSulfonic acidUrea

Properties

Molecular formula
C21H14N2Na2O9S2
Molar mass
548.45 g/mol
Exact mass
547.9936 Da
logP
2.78Crippen estimate
Polar surface area
190.3 Ų
H-bond donors / acceptors
6 / 7
Rotatable bonds
4

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
20324-87-2
SMILES
[O-]S(=O)(=O)c1cc(O)c2ccc(NC(=O)Nc3ccc4c(O)cc(S([O-])(=O)=O)cc4c3)cc2c1.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

3 names
  • 2-Naphthalenesulfonic acid, 7,7′-ureylenebis[4-hydroxy-, disodium salt
  • 2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-, disodium salt
  • AMI 1

Work with 2-Naphthalenesulfonic acid, 7,7′-(carbonyldiimino)bis[4-hydroxy-, sodium salt (1:2)

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4,4'-Dihydroxy-7,7'-ureylenedi(naphthalene-2-sulphonic acid)134-47-4Free acid

Similar compounds

4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-767 % similar 2-Naphthalenesulfonic acid, 4,6-dihydroxy-, sodium salt (1:1)83732-66-556 % similar Direct red 752829-43-854 % similar Direct orange 263626-36-653 % similar Chromotropic acid disodium salt dihydrate5808-22-048 % similar Direct red 233441-14-346 % similar Sodium 2,3-dihydroxynaphthalene-6-sulfonate135-53-546 % similar Sodium 1,3,6-naphthalenetrisulfonate5182-30-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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