chempirical

Sulisobenzone

C14H12O6SCAS 4065-45-6308.30 g/mol

Open in Covalent MOL file
OOHOSOOOH
EtherKetonePhenolSulfonic acid

Properties

Molecular formula
C14H12O6S
Molar mass
308.30 g/mol
Exact mass
308.0355 Da
Melting point
145 °C
Boiling point
491 °C
logP
1.88Crippen estimate
Polar surface area
100.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

Identifiers

CAS number
4065-45-6
SMILES
COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O
InChIKey
CXVGEDCSTKKODG-UHFFFAOYSA-N
InChI
InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)

Weigh it out

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

Names and synonyms

23 names · show all
  • Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-
  • 1-Phenol-4-sulfonic acid, 2-benzoyl-5-methoxy-
  • 5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
  • MS 40
  • 3-Benzoyl-4-hydroxy-6-methoxybenzenesulfonic acid
  • 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid
  • Spectra-sorb UV 284
  • Uval
  • Uvinul MS 40
  • 2-Hydroxy-4-methoxy-5-sulfobenzophenone
  • 2-Methoxy-4-hydroxy-5-benzoylbenzenesulfonic acid
  • Syntase 230
  • Benzophenone 4
  • Seesorb 101S
  • Uvasorb S 5
  • Sungard
  • NSC 60584
  • Uvinul D 5030
  • Viosorb 111
  • Escalol 577
  • UV 284
  • BP 4
  • Kemisorb 11S

Work with Sulisobenzone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium 2-hydroxy-4-methoxybenzophenone-5-sulfonate6628-37-172 % similar Oxybenzone131-57-755 % similar Benzophenone 976656-36-555 % similar 4,6-Dibenzoylresorcinol3088-15-152 % similar 2-Methoxybenzophenone2553-04-050 % similar 2,4-Dihydroxybenzophenone131-56-648 % similar 2-Hydroxy-5-methylbenzophenone1470-57-146 % similar 9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid145-48-245 % similar

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

Elsewhere

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