RefChem:564998

sodium 2-[4-(ethylamino)phenyl]-5-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]anilino]methyl]benzenesulfonate

Also Known As: EINECS 267-249-7|Benzenemethanaminium, N-ethyl-N-(4-((4-(ethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, monosodium salt|Benzenesulfonic acid, N-ethyl-N-(4-((4-(ethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, sodium salt (1:1)|Sodio(ethyl)(4-((4-(ethylamino)phenyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammonium|sodium 4'-(ethylamino)-4-[(ethyl{4-[(z)-{(4z)-4-[ethyl(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene}methyl]phenyl}amino)methyl]biphenyl-2-sulfonate|Benzenemethanaminium, N-ethyl-N-[4-[[4-(ethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, monosodium salt|Benzenesulfonic acid, N-ethyl-N-[4-[[4-(ethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:1)|SODIO(ETHYL)[4-[[4-(ETHYLAMINO)PHENYL][4-[ETHYL(3-SULPHONATOBENZYL)AMINO]PHENYL]METHYLENE]CYCLOHEXA-2,5-DIEN-1-YLIDENE](3-SULPHONATOBENZYL)AMMONIUM|sodium 2-[4-(ethylamino)phenyl]-5-[[N-ethyl-4-[[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]anilino]methyl]benzenesulfonate|Sodium 4'-(ethylamino)-4-[(ethyl{4-[(4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene)methyl]phenyl}amino)methyl][1,1'-biphenyl]-2-sulfonate|Sodium 4'-(ethylamino)-4-{[ethyl(4-{(Z)-[(4Z)-4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene]methyl}phenyl)amino]methyl}[1,1'-biphenyl]-2-sulfonate

Molecular Formula	C39H40N3NaO6S2
Molecular Weight	733.22565 g/mol
LogP	3.81
Topological Polar Surface Area	132.68 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	13
Exact Mass	733.22565
Heavy Atoms	51
Complexity	2176.2

Chemical Identifiers

CAS Number	67828-27-7
SMILES	CCNC1=CC=C(C=C1)C2=C(C=C(C=C2)CN(CC)C3=CC=C(C=C3)C=C4C=CC(=[N+](CC)CC5=CC(=CC=C5)S(=O)(=O)[O-])C=C4)S(=O)(=O)[O-].[Na+]