chempirical

9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid

C14H8O7SCAS 145-48-2320.27 g/mol

Open in Covalent MOL file
OOOHSOOOHOH
KetonePhenolSulfonic acid

Properties

Molecular formula
C14H8O7S
Molar mass
320.27 g/mol
Exact mass
319.9991 Da
logP
1.12Crippen estimate
Polar surface area
129.0 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
1

Identifiers

CAS number
145-48-2
SMILES
O=C1c2ccccc2C(=O)c2c(O)c(S(=O)(=O)O)cc(O)c21
InChIKey
CCQSBGJULPBARL-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O7S/c15-8-5-9(22(19,20)21)14(18)11-10(8)12(16)6-3-1-2-4-7(6)13(11)17/h1-5,15,18H,(H,19,20,21)

Weigh it out

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

Names and synonyms

10 names
  • 2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-
  • 2-Anthraquinonesulfonic acid, 1,4-dihydroxy-
  • Helio fast rubine 4BLA
  • Morocco maroon X 1550
  • 2-Quinizarinsulfonic acid
  • Rufianic acid
  • Quinizarinsulfonic acid
  • 1,4-Dihydroxyanthraquinone-2-sulfonic acid
  • Quinizarin-3-sulfonic acid
  • NSC 111951

Work with 9,10-Dihydro-1,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic 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

1,2,4-Trihydroxyanthraquinone81-54-963 % similar 9,10-Dihydro-9,10-dioxo-1-anthracenesulfonic acid82-49-559 % similar 1-Amino-4-bromo-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid116-81-451 % similar Alizarin72-48-050 % similar Rubiadin117-02-248 % similar 1-Amino-2-bromo-4-hydroxy-9,10-anthracenedione116-82-547 % similar 1-Hydroxyanthraquinone129-43-146 % similar Alizarin red S130-22-346 % similar

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

Elsewhere

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