chempirical

Eriochrome cyanine R

C23H15Na3O9SCAS 3564-18-9536.39 g/mol

Open in Covalent MOL file
OHO−OOSOOO−OO−Na+Na+Na+
Carboxylic acidPhenolSulfonate ester

Properties

Molecular formula
C23H15Na3O9S
Molar mass
536.39 g/mol
Exact mass
536.0130 Da
logP
1.98Crippen estimate
Polar surface area
158.4 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
4

Identifiers

CAS number
3564-18-9
SMILES
Cc1cc(C2(c3cc(C)c(O)c(C([O-])=O)c3)OS(=O)(=O)c3ccccc23)cc(C([O-])=O)c1[O-].[Na+].[Na+].[Na+]
InChIKey
YTPSSIKJORNZKU-UHFFFAOYSA-N
InChI
InChI=1S/C23H18O9S.3Na/c1-11-7-13(9-15(19(11)24)21(26)27)23(14-8-12(2)20(25)16(10-14)22(28)29)17-5-3-4-6-18(17)33(30,31)32-23;;;/h3-10,24-25H,1-2H3,(H,26,27)(H,28,29);;;

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Names and synonyms

28 names · show all
  • Benzoic acid, 3,3′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methyl-, sodium salt (1:3)
  • Solochrome cyanine R
  • C.I. Mordant Blue 3, trisodium salt
  • C.I. Mordant blue 3
  • Benzoic acid, 3,3′-(3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methyl-, S,S-dioxide, trisodium salt
  • Benzoic acid, 3,3′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[6-hydroxy-5-methyl-, trisodium salt
  • 3H-2,1-Benzoxathiole, benzoic acid deriv.
  • C.I. 43820
  • Alizarol cyanine RC
  • Atlantichrome cyanine RA
  • Chrome blue 3R
  • Chrome cyanine R
  • Chromoxane cyanine RA
  • Cromal blue black B
  • Diamond cyanine R
  • Fenakrom blue XR
  • Omega chrome cyanine GR
  • Pontachrome blue ECR
  • Sunchromine cyanine R
  • Tertrochrome cyanine CR
  • Diacromo cyanine R
  • Eriochromcyanin no. 553
  • Eriochrome cyanin R
  • Mordant blue 3
  • Chromoxane cyanin R
  • Eiochrome cyanine R
  • Chromoxane cyanine R
  • Eriochrome cyanine RC

Work with Eriochrome cyanine R

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

Bromocresol purple sodium62625-30-366 % similar Xylenol orange tetrasodium salt3618-43-758 % similar Bromocresol purple115-40-256 % similar Bromophenol blue sodium salt33551-92-755 % similar Cresol red sodium62625-29-053 % similar Xylenol orange1611-35-451 % similar Cresol red1733-12-649 % similar Iodophenol blue4430-24-448 % similar

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

Elsewhere

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