N-[4-[[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-ethanaminium inner salt

cas: 116-95-0 — see every product listed under this CAS number, including other names

N-[4-[[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-ethanaminium inner salt (CAS 116-95-0) is a chemical reagent available from Chemat. Available pack sizes: 1g, 5g, 25g, 100g. Offered by: Chemat.

• 2D
• 3D

2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-5-sulfobenzenesulfonate (CAS 116-95-0) is a chemical compound with the molecular formula C27H32N2O6S2 and a molecular weight of 544.7 g/mol. IUPAC name: 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-5-sulfobenzenesulfonate. InChIKey: IKHKJYWPWWBSFZ-UHFFFAOYSA-N.

Identity

Molecular formula	C27H32N2O6S2
Molecular weight	544.7 g/mol
IUPAC name	2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-5-sulfobenzenesulfonate
InChIKey	IKHKJYWPWWBSFZ-UHFFFAOYSA-N
SMILES	CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)[O-]

Computed by PubChem (NCBI)

Synonyms: C.I. Acid Blue 1, Alphazurine G, Xylene Blue, Brilliant Acid Blue, Azure Blue VX, IKHKJYWPWWBSFZ-UHFFFAOYSA-N

Isomers (same molecular formula)

1-ethyl-2-[(E,3Z)-3-(1-ethyl-3,3-dimethyl-5-sulfoindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-5-sulfonate C₂₇H₃₂N₂O₆S₂