Benzophenone 9

C15H12Na2O11S2CAS 76656-36-5478.35 g/mol

Open in Covalent MOL file
OOHOSO−OOOHOSO−OONa+Na+
EtherKetonePhenolSulfonic acid

Properties

Molecular formula
C15H12Na2O11S2
Molar mass
478.35 g/mol
Exact mass
477.9616 Da
logP
0.08Crippen estimate
Polar surface area
184.7 Ų
H-bond donors / acceptors
4 / 9
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
76656-36-5
SMILES
COc1cc(O)c(C(=O)c2cc(S([O-])(=O)=O)c(OC)cc2O)cc1S([O-])(=O)=O.[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

4 names
  • Benzenesulfonic acid, 3,3′-carbonylbis[4-hydroxy-6-methoxy-, sodium salt (1:2)
  • Benzenesulfonic acid, 3,3′-carbonylbis[4-hydroxy-6-methoxy-, disodium salt
  • Uvinul DS 49
  • Uvinul 3048

Work with Benzophenone 9

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

Sodium 2-hydroxy-4-methoxybenzophenone-5-sulfonate6628-37-180 % similar Sulisobenzone4065-45-655 % similar Alizarin red S130-22-347 % similar Acid blue 452861-02-145 % similar 2,2′-Dihydroxy-4,4′-dimethoxybenzophenone131-54-444 % similar 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-244 % similar 2-Hydroxy-4,5-dimethoxybenzoic acid5722-93-044 % similar 2,7-Dihydroxy-3,6-naphthalenesulfonate disodium salt7153-21-144 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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