chempirical

Indigo carmine

C16H8N2Na2O8S2CAS 860-22-0466.35 g/mol

Open in Covalent MOL file
O−SOONHHNSO−OOOONa+Na+
AlkeneKetoneSecondary amineSulfonic acid

Properties

Molecular formula
C16H8N2Na2O8S2
Molar mass
466.35 g/mol
Exact mass
465.9517 Da
logP
0.55Crippen estimate
Polar surface area
166.9 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
2

Identifiers

CAS number
860-22-0
SMILES
[O-]S(=O)(=O)c1ccc2NC(=C3Nc4ccc(S([O-])(=O)=O)cc4C3=O)C(=O)c2c1.[Na+].[Na+]
InChIKey
BBHXOPLQIHJZNV-UHFFFAOYSA-N
InChI
InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;

Weigh it out

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

Names and synonyms

99 names · show all
  • 1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, sodium salt (1:2)
  • [δ2,2′-Biindoline]-5,5′-disulfonic acid, 3,3′-dioxo-, disodium salt
  • C.I. Acid blue 74
  • 1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt
  • 1311 Blue
  • 12070 Blue
  • C.I. 73015
  • C.I. 75781
  • Acid blue W
  • Ariavit indigo carmine
  • Food blue no. 2
  • Acid leather blue IC
  • Airedale blue in
  • Amacid brilliant blue
  • Aniline carmine powder
  • Atul indigo carmine
  • FD & C Blue 2
  • A.F. Blue no. 2
  • Bucacid indigotine B
  • Canacert indigo carmine
  • Carmine blue
  • Cilefa blue R
  • C.I. Food blue 1
  • C.I. Natural blue 2
  • Dolkwal indigo carmine
  • Edicol supra blue X
  • Food blue 1
  • Grape blue A
  • HD indigo carmine
  • HD indigo carmine supra
  • Hexacert blue no. 2
  • Hexacol indigo carmine supra
  • Indigo carmine A
  • Indigo carmine AC
  • Indigo carmine BP
  • Indigo carmine conc. FQ
  • Indigo carmine powder
  • Indigo extract
  • Indigo carmine X
  • Indigotine B
  • Indigotine I
  • Indigotine N
  • Indigotine blue LZ
  • Indigotine disodium salt
  • Indigotine extra pure A
  • Indigotine lake
  • Indocarmine F
  • Intense blue
  • Maple indigo carmine
  • Mitsui indigo carmine
  • San-ei Indigo Carmine
  • Sodium 5,5′-indigotindisulfonate
  • Soluble indigo
  • Sumitomo wool blue SBC
  • Usacert blue no. 2
  • FD and C blue no. 2
  • Indigotine IA
  • Sodium 5,5′-indigodisulfonate
  • Disodium 5,5′-indigodisulfonate
  • L Blue Z 5010
  • Disodium 5,5′-indigotin disulfonate
  • Soluble indigo blue
  • Acid blue 74
  • Food blue no. 1
  • FD&C blue no. 2
  • Indigotine carmine
  • Indigotine
  • E 132
  • Indigotin (solubilized)
  • Indigotin
  • 5,5′-Indigodisulfonic acid disodium salt
  • Japan blue 2
  • FD and C Blue 2
  • Usacert FD and C blue no. 2
  • Food blue 2
  • Indigo carmine NB
  • WAS 35
  • Sepisperse dry 1003
  • Indigo carmine 37006
  • Indigo carmine 307019
  • Water blue 177558
  • Water blue 177557
  • FD & C blue no 2-307045
  • Usacert FD & C blue no 2-310118
  • Necol indigo carmine
  • Indigo carmine 36009
  • Neelicol indigo carmine
  • Eurocert indigo carmine 311811
  • FD&C blue no. 2-37006
  • Basovit blue 665E
  • Cogilor blue 511.11
  • Blue 2
  • Japan food blue no. 2
  • Carmine indigo
  • Indigo carmine 85E132
  • Blue no. 2
  • Indigo carmine E 132
  • Disodium 2,2′-biindolylidene-3,3′-dione-5,5′-disulfonate
  • Sepisperse dry blue

Work with Indigo carmine

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

Disodium anthraquinone-2,7-disulfonate853-67-855 % similar Anthraquinone-2,6-disulfonic acid disodium salt853-68-955 % similar Sodium 2-anthraquinonesulfonate131-08-851 % similar Disodium 2,6-naphthalenedisulfonate1655-45-447 % similar Disodium 2,7-naphthalenedisulfonate1655-35-246 % similar Indigo blue482-89-345 % similar Disodium m-benzenedisulfonate831-59-445 % similar Jing ming3863-80-745 % similar

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

Elsewhere

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