[6-(diethylamino)-9-[4-[[3-oxidanylidene-3-[[4-[(E)-3-oxidanylideneprop-1-enyl]phenyl]amino]propyl]sulfamoyl]-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-[4-[[3-oxidanylidene-3-[[4-[(E)-3-oxidanylideneprop-1-enyl]phenyl]amino]propyl]sulfamoyl]-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-[4-[[3-oxo-3-[4-[(E)-3-oxoprop-1-enyl]anilino]propyl]sulfamoyl]-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-[4-[[3-oxo-3-[4-[(E)-3-oxoprop-1-enyl]anilino]propyl]sulfamoyl]-2-sulfophenyl]-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-[4-[[3-oxo-3-[4-[(E)-3-oxoprop-1-enyl]anilino]propyl]sulfamoyl]-2-sulfophenyl]xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-[4-[[3-keto-3-[4-[(E)-3-ketoprop-1-enyl]anilino]propyl]sulfamoyl]-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-ammonium Formula: C39H43N4O8S2+ MolecularWeight: 759.91072

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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)NCCC(=O)NC5=CC=C(C=C5)C=CC=O)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)NCCC(=O)NC5=CC=C(C=C5)/C=C/C=O)S(=O)(=O)O

InChI

InChI=1S/C39H42N4O8S2/c1-5-42(6-2)29-15-18-32-35(24-29)51-36-25-30(43(7-3)8-4)16-19-33(36)39(32)34-20-17-31(26-37(34)53(48,49)50)52(46,47)40-22-21-38(45)41-28-13-11-27(12-14-28)10-9-23-44/h9-20,23-26,40H,5-8,21-22H2,1-4H3,(H-,41,44,45,48,49,50)/p+1