Products 6104-59-2

CAS 6104-59-2 appears in our catalog under these names: Coomassie Blue R-250, Technical Grade, Brilliant Blue R250, Coomassie Blue R–250, Brilliant Blue R soln., Ready- , Brilliant Blue R . Offered by: TRC, TargetMol, GLPBio, Thermo Scientific (Alfa Aesar), TCI. Available pack sizes: 100g, 10g, 25g, 50g, 1L, 2kg, 1kg, 500g.

Structural formula: {0} (CAS {1})

Sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate (CAS 6104-59-2) is a chemical compound with the molecular formula C45H44N3NaO7S2 and a molecular weight of 826.0 g/mol. IUPAC name: sodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate. InChIKey: NKLPQNGYXWVELD-UHFFFAOYSA-M.

Identity
Molecular formulaC45H44N3NaO7S2
Molecular weight826.0 g/mol
IUPAC namesodium 3-[[4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
InChIKeyNKLPQNGYXWVELD-UHFFFAOYSA-M
SMILESCCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=C(C=C5)NC6=CC=C(C=C6)OCC.[Na+]

Computed by PubChem (NCBI)