Products 70161-13-6

CAS 70161-13-6 is the registry number for Sodium 1-amino-4-((4-((4-chloro-6-((2-sulfonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfonatophenyl)amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate, 95+%. Offered by: Chemat Brand. Available pack sizes: on request.

Sodium 1-amino-4-((4-((4-chloro-6-((2-sulfonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfonatophenyl)amino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate, 95+%
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

Trisodium;1-amino-4-[4-[[4-chloro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate (CAS 70161-13-6) is a chemical compound with the molecular formula C29H17ClN7Na3O11S3 and a molecular weight of 840.1 g/mol. IUPAC name: trisodium;1-amino-4-[4-[[4-chloro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate. InChIKey: KIRKGWILHWJIMS-UHFFFAOYSA-K.

Identity
Molecular formulaC29H17ClN7Na3O11S3
Molecular weight840.1 g/mol
IUPAC nametrisodium;1-amino-4-[4-[[4-chloro-6-(2-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
InChIKeyKIRKGWILHWJIMS-UHFFFAOYSA-K
SMILESC1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: C.I. Reactive Blue 2, trisodium salt, Cibacron blue 3GA, Procion Blue H-BS
Isomers (same molecular formula)
trisodium;1-amino-4-[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate C29H17ClN7Na3O11S3