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

Systemtic Name: [6-(diethylamino)-9-(4-sulfamoyl-2-sulfo-phenyl)xanthen-3-ylidene]-diethyl-azanium hydroxide Openeye Name: [6-(diethylamino)-9-(4-sulfamoyl-2-sulfo-phenyl)xanthen-3-ylidene]-diethyl-ammonium hydroxide CAS Name: [6-(diethylamino)-9-(4-sulfamoyl-2-sulfophenyl)-3-xanthenylidene]-diethylammonium hydroxide IUPAC Name: [6-(diethylamino)-9-(4-sulfamoyl-2-sulfophenyl)xanthen-3-ylidene]-diethylazanium hydroxide Traditional Name: [6-(diethylamino)-9-(4-sulfamoyl-2-sulfo-phenyl)xanthen-3-ylidene]-diethyl-ammonium hydroxide Formula: C27H33N3O7S2 MolecularWeight: 575.69682

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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)N)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)N)S(=O)(=O)O.[OH-]

InChI

InChI=1S/C27H31N3O6S2.H2O/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,(H2-,28,31,32,33,34,35);1H2