双氯苯磺胺sodium bischlorophenyl sulfamine 58727-01-8

双氯苯磺胺sodium bischlorophenyl sulfamine

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iupac名称 IUPAC Name :disodium;5-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfonylamino]-2-[(E)-2-[4-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfonylamino]-2-sulfonatophen

INCHI InChI :INCHI InChI=1/C38H28cl Cl4N4O14S6.2Na/c39-33-17-15-31(21-35(33)41)63(51,52)43-25-7-11-29(12-8-25)61(47,48)45-27-5-3-23(37(19-27)65(55,56)57)1-2-24-4-6-28(20-38(24)66(58,59)60)46-62(49,50)30-13-9-26(10-14-30)44-64(53,54)32-16-18-34(40)36(42)22-32;;/h1-22,43-46H,(H,55,56,57)(H,58,59,60);;/q;2*+1/p-2/b2-1+;;

印地 Std.InChI: INCHI InChI=1S/C38H28cl Cl4N4O14S6.2Na/c39-33-17-15-31(21-35(33)41)63(51,52)43-25-7-11-29(12-8-25)61(47,48)45-27-5-3-23(37(19-27)65(55,56)57)1-2-24-4-6-28(20-38(24)66(58,59)60)46-62(49,50)30-13-9-26(10-14-30)44-64(53,54)32-16-18-34(40)36(42)22-32;;/h1-22,43-46H,(H,55,56,57)(H,58,59,60);;/q;2*+1/p-2/b2-1+;;

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INCHI基 InChIKey :FQWVTOWRZJSJTK-HYKNURKJBQ

标准奇奇 Std.InChIKey: FQWVTOWRZJSJTK-SEPHDYHBSA-L

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微笑 SMILES :C1= c =CC(= c =Cc = c C= c =C1ns NS(= o =O)(= o =O)C2= c =CC(= c =C(c = c C= c =C2)cl Cl)cl Cl)S(= o =O)(= o =O)NC3= c =CC(= c =C(c = c C= c =C3)/c = c C= c =C/C4= c =C(c = c C= c =C(c = c C= c =C4)ns NS(= o =O)(= o =O)C5= c =Cc = c C= c =C(c = c C= c =C5)ns NS(= o =O)(= o =O)C6= c =CC(= c =C(c = c C= c =C6)cl Cl)cl Cl)S(= o =O)(= o =O)[o- O-])S(= o =O)(= o =O)[o- O-].[Na+].[Na+]