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Substance Name: Indigo-5,5',7'-trisulfonic acid
RN: 138574-86-4
UNII: PXA47WWU4X
InChIKey: CNNOYTGBYSBIAQ-BUHFOSPRSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C16-H10-N2-O11-S3

Molecular Weight

  • 502.456
 
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Names and Synonyms

Name of Substance

  • Indigo-5,5',7'-trisulfonic acid

Synonym

  • UNII-PXA47WWU4X

Systematic Name

  • 1H-Indole-5,7-disulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-

Registry Numbers

CAS Registry Number

  • 138574-86-4

FDA UNII

  • PXA47WWU4X

System Generated Number

  • 0138574864

Structure Descriptors

InChI

1S/C16H10N2O11S3/c19-15-8-3-6(30(21,22)23)1-2-10(8)17-13(15)14-16(20)9-4-7(31(24,25)26)5-11(12(9)18-14)32(27,28)29/h1-5,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29)/b14-13+

InChIKey

CNNOYTGBYSBIAQ-BUHFOSPRSA-N

Smiles

c1cc2c(cc1S(=O)(=O)O)C(=O)/C(=C\3/C(=O)c4cc(cc(c4N3)S(=O)(=O)O)S(=O)(=O)O)/N2