9-[4-(Chlorosulfonyl)-2-Sulfophenyl]-3,6-Bis(Diethylamino)-Xanthylium Inner Salt
[CAS# 62796-29-6]

Identification

• Classification: Chemical reagent >> Organic reagent >> Sulfonyl halide
• Name: 9-[4-(Chlorosulfonyl)-2-Sulfophenyl]-3,6-Bis(Diethylamino)-Xanthylium Inner Salt
• Synonyms: 5-Chlorosulfonyl-2-(3-Diethylamino-6-Diethylazaniumylidene-Xanthen-9-Yl)Benzenesulfonate; 5-Chlorosulfonyl-2-(3-Diethylamino-6-Diethylazaniumylidene-9-Xanthenyl)Benzenesulfonate; 9-(4-(Chlorosulphonyl)-2-Sulphonatophenyl)-3,6-Bis(Diethylamino)Xanthylium
• Molecular Formula: C₂₇H₂₉ClN₂O₆S₂
• Molecular Weight: 577.11
• CAS Registry Number: 62796-29-6
• EINECS: 263-735-8
• SMILES: [O+]1=C4C(=C(C2=C1C=C(N(CC)CC)C=C2)C3=C(C=C([S](=O)(=O)Cl)C=C3)[S](=O)(=O)[O-])C=CC(=C4)N(CC)CC
• InChI: 1S/C27H29ClN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(28,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3
• InChIKey: YERWMQJEYUIJBO-UHFFFAOYSA-N