chempirical

Dinonylnaphthalenesulfonic acid

C28H44O3SCAS 25322-17-2460.72 g/mol

Open in Covalent MOL file
SOOOH
Sulfonic acid

Properties

Molecular formula
C28H44O3S
Molar mass
460.72 g/mol
Exact mass
460.3011 Da
logP
8.67Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
17

Identifiers

CAS number
25322-17-2
SMILES
CCCCCCCCCC1=CC2=CC=CC=C2C(=C1CCCCCCCCC)S(=O)(=O)O
InChIKey
WDNQRCVBPNOTNV-UHFFFAOYSA-N
InChI
InChI=1S/C28H44O3S/c1-3-5-7-9-11-13-15-19-24-23-25-20-17-18-22-27(25)28(32(29,30)31)26(24)21-16-14-12-10-8-6-4-2/h17-18,20,22-23H,3-16,19,21H2,1-2H3,(H,29,30,31)

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

Names and synonyms

14 names · show all
  • Naphthalenesulfonic acid, dinonyl-
  • Nacure 1051
  • Catalyst 500
  • DNNSA
  • Nacure 1052
  • Nacure 1053
  • HD (sulfonate)
  • HD
  • Taycacure AC 901
  • Nacure 141U
  • AD 3315
  • Nacure 1059
  • Dinonylnaphthalene sulfonate
  • BD 7119

Work with Dinonylnaphthalenesulfonic 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

Tobias acid81-16-340 % similar Sodium dodecylbenzenesulfonate25155-30-039 % similar Hexylbenzene1077-16-336 % similar Hexadecylbenzene1459-09-236 % similar Tetradecylbenzene1459-10-536 % similar Heptadecylbenzene14752-75-136 % similar Pentadecylbenzene2131-18-236 % similar Octylbenzene2189-60-836 % similar

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

Elsewhere

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