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

Systemtic Name: [9-[4-(aminosulfamoyl)-2-sulfo-phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-[4-(hydrazinesulfonyl)-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-[4-(hydrazinesulfonyl)-2-sulfophenyl]-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-[4-(hydrazinesulfonyl)-2-sulfophenyl]xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-[4-(hydrazinesulfonyl)-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-ammonium Formula: C27H33N4O6S2+ MolecularWeight: 573.70412

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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)NN)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)NN)S(=O)(=O)O

InChI

InChI=1S/C27H32N4O6S2/c1-5-30(6-2)18-9-12-21-24(15-18)37-25-16-19(31(7-3)8-4)10-13-22(25)27(21)23-14-11-20(38(32,33)29-28)17-26(23)39(34,35)36/h9-17,29H,5-8,28H2,1-4H3/p+1