CAS: 116-95-0 - C.I. Acid Blue 1

Formula: C₂₇H₃₂N₂O₆S₂

InChI: InChI=1S/C27H32N2O6S2/c1-5-28(6-2)22-13-9-20(10-14-22)27(21-11-15-23(16-12-21)29(7-3)8-4)25-18-17-24(36(30,31)32)19-26(25)37(33,34)35/h9-19H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)

InChI key: InChIKey=IKHKJYWPWWBSFZ-UHFFFAOYSA-N

SMILES: O=S(=O)([O-])C1=CC(=CC=C1C(C2=CC=C(C=C2)N(CC)CC)=C3C=CC(C=C3)=[N+](CC)CC)S(=O)(=O)O

Synonyms:

• 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
• Acid Blue 1
• 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
• C.I. Acid Blue 1

Acid Blue 1

CAS: 116-95-0

• Formula: C₂₇H₃₂N₂O₆S₂
• Color and Shape: Yellow to Brown to Dark green powder to crystal
• Molecular weight: 544.68

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

CAS: 116-95-0

• Formula: C₂₇H₃₂N₂O₆S₂
• Color and Shape: Solid
• Molecular weight: 544.6828