Acid Blue 109

[(4Z)-4-[(4-anilinophenyl)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]-3-methylcyclohexa-2,5-dien-1-ylidene]-ethyl-[(3-sulfophenyl)methyl]azanium

Also Known As: Acid Blue 109|C.I. Acid Blue 109|(1E,4Z)-4-[(4-Anilinophenyl)(4-{ethyl[(3-sulfophenyl)methyl]amino}-2-methylphenyl)methylidene]-N-ethyl-3-methyl-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium|[(4Z)-4-[(4-anilinophenyl)-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methylphenyl]methylidene]-3-methylcyclohexa-2,5-dien-1-ylidene]-ethyl-[(3-sulfophenyl)methyl]azanium|Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]-2-methylphenyl][4-(phenylamino)phenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, monosodium salt|Benzenemethanaminium,5-cyclohexadien-1-ylidene]-3-sulfo-, hydroxide, inner salt, monosodium salt

Molecular Formula	C45H46N3O6S2+
Molecular Weight	788.2828 g/mol
LogP	9.25012
Topological Polar Surface Area	127.02 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	13
Exact Mass	788.2828
Monoisotopic Mass	788.2828
Heavy Atoms	56
Complexity	2594.0767

Chemical Identifiers

CAS Number	7253-35-2
SMILES	CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC(=C(C=C2)/C(=C\3/C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3C)/C5=CC=C(C=C5)NC6=CC=CC=C6)C