chempirical

2,6-Naphthalenedisulfonic acid

C10H8O6S2CAS 581-75-9288.29 g/mol

Open in Covalent MOL file
OSOOHSOOOH
Sulfonic acid

Properties

Molecular formula
C10H8O6S2
Molar mass
288.29 g/mol
Exact mass
287.9762 Da
logP
1.33Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
581-75-9
SMILES
O=S(=O)(O)c1ccc2cc(S(=O)(=O)O)ccc2c1
InChIKey
FITZJYAVATZPMJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)

Weigh it out

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

Names and synonyms

3 names
  • Ebert-Merz β-acid
  • NSC 37041
  • 2,6-Naphthalenedisulphonic acid

Work with 2,6-Naphthalenedisulfonic 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

Naphthalene-2-sulfonic acid120-18-383 % similar 2-Naphthol-6-sulfonic acid93-01-677 % similar 6-Amino-2-naphthalenesulfonic acid93-00-574 % similar 1-Naphthol-3,6-disulfonic acid578-85-860 % similar [1,1′-Biphenyl]-4,4′-disulfonic acid5314-37-458 % similar 3,4-Diaminobenzenesulfonic acid7474-78-457 % similar 8-Amino-2-naphthalenesulfonic acid119-28-855 % similar 5-Amino-2-naphthalenesulfonic acid119-79-955 % similar

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

Same formula

Armstrong'S acid81-04-9 2,7-Naphthalenedisulfonic acid92-41-1

Elsewhere

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