2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-(9-oxidanylidenenonylsulfamoyl)benzenesulfonate

Systemtic Name: 2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-(9-oxidanylidenenonylsulfamoyl)benzenesulfonate Openeye Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-(9-oxononylsulfamoyl)benzenesulfonate CAS Name: 2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]-5-(9-oxononylsulfamoyl)benzenesulfonate IUPAC Name: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-(9-oxononylsulfamoyl)benzenesulfonate Traditional Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-(9-ketononylsulfamoyl)besylate Formula: C36H47N3O7S2 MolecularWeight: 697.90428

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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)NCCCCCCCCC=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)NCCCCCCCCC=O)S(=O)(=O)[O-]

InChI

InChI=1S/C36H47N3O7S2/c1-5-38(6-2)27-16-19-30-33(24-27)46-34-25-28(39(7-3)8-4)17-20-31(34)36(30)32-21-18-29(26-35(32)48(43,44)45)47(41,42)37-22-14-12-10-9-11-13-15-23-40/h16-21,23-26,37H,5-15,22H2,1-4H3