chempirical

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

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+]
InChIKey
NSAOIAYLNQLPAZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O11S2.2Na/c1-25-11-5-9(16)7(3-13(11)27(19,20)21)15(18)8-4-14(28(22,23)24)12(26-2)6-10(8)17;;/h3-6,16-17H,1-2H3,(H,19,20,21)(H,22,23,24);;

Weigh it out

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

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 2,7-Dihydroxy-3,6-naphthalenesulfonate disodium salt7153-21-144 % similar 4,8-Dihydroxy-1,5-diaminoanthraquinone-3-sulfonic acid2150-60-944 % similar Thiocol1321-14-842 % similar

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

Elsewhere

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