Sodium 2-hydroxy-4-methoxybenzophenone-5-sulfonate

C₁₄H₁₁NaO₆SCAS 6628-37-1330.29 g/mol

Open in Covalent MOL file

Ether Ketone Phenol Sulfonic acid

Properties

Molecular formula: C₁₄H₁₁NaO₆S
Molar mass: 330.29 g/mol
Exact mass: 330.0174 Da
logP: 1.50Crippen estimate
Polar surface area: 100.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

Identifiers

CAS number

6628-37-1

SMILES

COc1cc(O)c(C(=O)c2ccccc2)cc1S([O-])(=O)=O.[Na+]

InChIKey

YCSKILQQVIHGJI-UHFFFAOYSA-N

InChI

InChI=1S/C14H12O6S.Na/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);

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

Names and synonyms

13 names · show all

Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-, sodium salt (1:1)
Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-, monosodium salt
Benzenesulfonic acid, 5-benzoyl-4-hydroxy-2-methoxy-, sodium salt
Benzophenone 5
Uvin 1MS40
Sulibenzone
Uvistat 1121
Cyasorb UV 284
2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid sodium salt
Sodium 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate
Sodium benzophenone-2-hydroxy-4-methoxy-5-sulfonate
ASL 24ST
2-Hydroxy-4-methoxybenzophenone-5-sodium sulfonate

Work with Sodium 2-hydroxy-4-methoxybenzophenone-5-sulfonate

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

Benzophenone 976656-36-580 % similar Sulisobenzone4065-45-672 % similar Oxybenzone131-57-753 % similar 4,6-Dibenzoylresorcinol3088-15-150 % similar 2-Methoxybenzophenone2553-04-048 % similar Alizarin red S130-22-346 % similar 2-Hydroxy-5-methylbenzophenone1470-57-144 % similar Sodium O-phenolsulfonate1300-51-244 % similar

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

Elsewhere

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