chempirical

1,3,5-Naphthalenetrisulfonic acid

C10H8O9S3CAS 6654-64-4368.35 g/mol

Open in Covalent MOL file
OSOHOSOOOHSOOHO
Sulfonic acid

Properties

Molecular formula
C10H8O9S3
Molar mass
368.35 g/mol
Exact mass
367.9330 Da
logP
0.58Crippen estimate
Polar surface area
163.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
3

Identifiers

CAS number
6654-64-4
SMILES
O=S(=O)(O)c1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1
InChIKey
INMHJULHWVWVFN-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O9S3/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)

Weigh it out

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

Work with 1,3,5-Naphthalenetrisulfonic acid

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

Armstrong'S acid81-04-971 % similar 2-Naphthylamine-4,8-disulfonic acid131-27-166 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-265 % similar 7-Amino-1,3,5-naphthalenetrisulfonic acid27310-25-460 % similar L Acid117-59-959 % similar Naphthalene-1-sulfonic acid85-47-258 % similar Laurent acid84-89-957 % similar 5,6-Diamino-1,3-naphthalenedisulfonic acid73692-57-656 % similar

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

Elsewhere

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