Benzenemethanaminium, N-(4-((4-(diethylamino)-2-methylphenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt

sodium 3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate

CAS: 5863-46-7

Molecular Formula	`C42H46N3NaO6S2`
Molecular Weight	776.0 g/mol
Topological Polar Surface Area	141.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	12
Exact Mass	775.2726
Heavy Atoms	54
Complexity	1410.0

Chemical Identifiers

CAS Number	5863-46-7
SMILES	`CCN(CC)C1=CC(=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC(=CC=C3)S(=O)(=O)[O-])C=C2)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-])C.[Na+]`
InChIKey	`IXNUVCLIRYUKFB-UHFFFAOYSA-M`

📖 Product Overview

Benzenemethanaminium, N-(4-((4-(diethylamino)-2-methylphenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt (CAS: 5863-46-7) is a chemical compound with molecular formula C42H46N3NaO6S2 and molecular weight 776.0 g/mol. Its IUPAC systematic name is sodium 3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate. Topological Polar Surface Area 141.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 12 Exact Mass 775.2726 Heavy Atoms 54 Complexity 1410.0 InChI Key: IXNUVCLIRYUKFB-UHFFFAOYSA-M. SMILES: CCN(CC)C1=CC(=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC(=CC=C3)S(=O)(=O)[O-])C=C2)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)[O-])C.[Na+].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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