[9-[4-(2-chloroethylsulfamoyl)-2-sulfo-phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [9-[4-(2-chloroethylsulfamoyl)-2-sulfo-phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-[4-(2-chloroethylsulfamoyl)-2-sulfo-phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-[4-(2-chloroethylsulfamoyl)-2-sulfophenyl]-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-[4-(2-chloroethylsulfamoyl)-2-sulfophenyl]-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-[4-(2-chloroethylsulfamoyl)-2-sulfo-phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C29H35ClN3O6S2+ MolecularWeight: 621.1877

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)NCCCl)S(=O)(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)NCCCl)S(=O)(=O)O

InChI

InChI=1S/C29H34ClN3O6S2/c1-5-32(6-2)20-9-12-23-26(17-20)39-27-18-21(33(7-3)8-4)10-13-24(27)29(23)25-14-11-22(19-28(25)41(36,37)38)40(34,35)31-16-15-30/h9-14,17-19,31H,5-8,15-16H2,1-4H3/p+1