C.I. Acid Blue 1

4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfobenzenesulfonate

Also Known As: C.I. Acid Blue 1|Acid blue 1|EINECS 204-165-1|Sodium3-Cyanopropane-1-sulfonate|HY-D0293|4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfobenzenesulfonate|2-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-5-sulfobenzenesulfonate|4-((4-(Diethylamino)phenyl)(4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-3-sulfobenzenesulfonate|Hydrogen (4-(4-(diethylamino)-2',4'-disulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium|Acidblue;4-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfobenzenesulfonate|Ethanaminium, N-(4-((4-(diethylamino)phenyl)(2,4-disulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, hydroxide, inner salt|Ethanaminium, N-[4-[[4-(diethylamino)phenyl](2,4-disulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, hydroxide, inner salt|ETHANAMINIUM, N-[4-[[4-(DIETHYLAMINO)PHENYL](2,4-DISULFOPHENYL)METHYLENE]-2,5-CYCLOHEXADIEN-1-YLIDENE]-N-ETHYL-, INNER SALT|Hydrogen [4-[4-(Diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium

Molecular Formula	C27H32N2O6S2
Molecular Weight	544.17017 g/mol
LogP	4.1
Topological Polar Surface Area	117.82 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	544.17017
Heavy Atoms	37
Complexity	1472.4

Chemical Identifiers

CAS Number	116-95-0
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