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

Systemtic Name: [6-(diethylamino)-9-[4-(phenylsulfamoyl)-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-azanium hydroxide Openeye Name: [6-(diethylamino)-9-[4-(phenylsulfamoyl)-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-ammonium hydroxide CAS Name: [6-(diethylamino)-9-[4-(phenylsulfamoyl)-2-sulfophenyl]-3-xanthenylidene]-diethylammonium hydroxide IUPAC Name: [6-(diethylamino)-9-[4-(phenylsulfamoyl)-2-sulfophenyl]xanthen-3-ylidene]-diethylazanium hydroxide Traditional Name: [6-(diethylamino)-9-[4-(phenylsulfamoyl)-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-ammonium hydroxide Formula: C33H37N3O7S2 MolecularWeight: 651.79278

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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)NC5=CC=CC=C5)S(=O)(=O)O.[OH-]

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)NC5=CC=CC=C5)S(=O)(=O)O.[OH-]

InChI

InChI=1S/C33H35N3O6S2.H2O/c1-5-35(6-2)24-14-17-27-30(20-24)42-31-21-25(36(7-3)8-4)15-18-28(31)33(27)29-19-16-26(22-32(29)44(39,40)41)43(37,38)34-23-12-10-9-11-13-23;/h9-22,34H,5-8H2,1-4H3;1H2