Chemical Compound

Xylenol orange

CAS Registry Number 1611-35-4
Xylenol orange chemical structure
Primary Record

Xylenol orange

In stock
3,900 g
Purity
98.3 %
CAS
1611-35-4

Compound Identifiers & Properties

CAS
1611-35-4
PubChem CID
91873340
SMILES
CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)[O-])/C(=C\2/C=C(C(=O)C(=C2)CN(CC(=O)O)CC(=O)O)C)/C3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+]
Canonical SMILES
CC1=C/C(=C(/c2cc(C)c(O)c(CN(CC(=O)[O-])CC(=O)O)c2)c2ccccc2S(=O)(=O)[O-])C=C(CN(CC(=O)O)CC(=O)O)C1=O.[Na+].[Na+]

Names & Synonyms

  • Xylenol orange
  • 1611-35-4
  • disodium;2-[[5-[(E)-[3-[[bis(carboxymethyl)amino]methyl]-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]-(2-sulfonatophenyl)methyl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetate