Products 68921-42-6

CAS 68921-42-6 appears in our catalog under these names: Food Blue No. 1 Aluminum Lake, 3-((Ethyl(4-((4-(ethyl(3-sulfobenzyl)amino)phenyl)(2-sulfophenyl)methylene)cyclohexa-2,5-dien-1-ylidene)ammonio)methyl)benzenesulfonate xaluminum salt, 95%, Aluminum(III) 2–((4–(ethyl(3–sulfonatobenzyl)amino)phenyl)(4–(ethyl(3–sulfonatobenzyl)iminio)cyclohexa–2,5–dien–1–ylidene)methyl)benzenesulfonate, Food Blue 2:1, Food Blue No 1 Aluminum Lake. Offered by: Chemat Brand, AmBeed, GLPBio, Biosynth, TCI. Available pack sizes: on request, 5g, 1g, 10g, 25g, 50g, 100g, 500g.

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

3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate (CAS 68921-42-6) is a chemical compound with the molecular formula C37H36N2O9S3 and a molecular weight of 748.9 g/mol. IUPAC name: 3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate. InChIKey: CTRXDTYTAAKVSM-UHFFFAOYSA-N.

Identity
Molecular formulaC37H36N2O9S3
Molecular weight748.9 g/mol
IUPAC name3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate
InChIKeyCTRXDTYTAAKVSM-UHFFFAOYSA-N
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=CC=C5S(=O)(=O)O

Computed by PubChem (NCBI)