Products 8004-91-9

CAS 8004-91-9 appears in our catalog under these names: Aniline Blue (spirit soluble), Aniline blue, C.I. Solvent Blue 3, Aniline blue (alcohol soluble). Offered by: GLPBio, Biosynth, Chemat, MedChemExpress. Available pack sizes: 100g, 25g, 5g, 50g, 250g, 500g, 1g, 1 g.

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

Disodium;2-amino-3-methyl-5-[[4-(4-sulfonatoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate (CAS 8004-91-9) is a chemical compound with the molecular formula C32H25N3Na2O9S3 and a molecular weight of 737.7 g/mol. IUPAC name: disodium;2-amino-3-methyl-5-[[4-(4-sulfonatoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate. InChIKey: XOSXWYQMOYSSKB-UHFFFAOYSA-L.

Identity
Molecular formulaC32H25N3Na2O9S3
Molecular weight737.7 g/mol
IUPAC namedisodium;2-amino-3-methyl-5-[[4-(4-sulfonatoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
InChIKeyXOSXWYQMOYSSKB-UHFFFAOYSA-L
SMILESCC1=CC(=CC(=C1N)S(=O)(=O)[O-])C(=C2C=CC(=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]

Computed by PubChem (NCBI)