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C₁₈H₁₂Na₃O₉PS₃CAS 63995-70-0568.41 g/mol

Open in Covalent MOL file

Phosphine Sulfonic acid

Properties

Molecular formula: C₁₈H₁₂Na₃O₉PS₃
Molar mass: 568.41 g/mol
Exact mass: 567.9074 Da
logP: 0.04Crippen estimate
Polar surface area: 163.1 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 6

Identifiers

CAS number

63995-70-0

SMILES

[O-]S(=O)(=O)c1cccc(P(c2cccc(S([O-])(=O)=O)c2)c2cccc(S([O-])(=O)=O)c2)c1.[Na+].[Na+].[Na+]

InChIKey

DDFNIWBATAORBX-UHFFFAOYSA-N

InChI

InChI=1S/C18H15O9PS3.3Na/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;

Weigh it out

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

Names and synonyms

9 names

Benzenesulfonic acid, 3,3′,3′′-phosphinidynetris-, sodium salt (1:3)
3,3′,3′′-Phosphinidynetris[benzenesulfonic acid] trisodium salt
Trisodium tris(m-sulfophenyl)phosphine
Benzenesulfonic acid, 3,3′,3′′-phosphinidynetris-, trisodium salt
Tris(m-sulfophenyl)phosphine trisodium salt
Tris(3-sulfophenyl)phosphine trisodium salt
Triphenylphosphine-m-trisulfonic acid trisodium salt
Trisodium tris(3-sulfonatophenyl)phosphine
Trisodium tris(m-sulfonatophenyl)phosphine

Work with Tppts

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

Disodium m-benzenedisulfonate831-59-471 % similar Sodium m-aminobenzenesulfonate1126-34-759 % similar Sodium benzenesulfonate515-42-457 % similar Disodium 2,6-naphthalenedisulfonate1655-45-453 % similar Nitrol S127-68-453 % similar Disodium 2,7-naphthalenedisulfonate1655-35-252 % similar Sodium 2-naphthalenesulfonate532-02-551 % similar Disodium 1,6-naphthalenedisulfonate1655-43-249 % similar

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

Elsewhere

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