2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-(11-oxidanylideneundecylsulfamoyl)benzenesulfonate

Systemtic Name: 2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-(11-oxidanylideneundecylsulfamoyl)benzenesulfonate Openeye Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-(11-oxoundecylsulfamoyl)benzenesulfonate CAS Name: 2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]-5-(11-oxoundecylsulfamoyl)benzenesulfonate IUPAC Name: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-(11-oxoundecylsulfamoyl)benzenesulfonate Traditional Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-(11-ketoundecylsulfamoyl)besylate Formula: C38H51N3O7S2 MolecularWeight: 725.95744

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

InChI

InChI=1S/C38H51N3O7S2/c1-5-40(6-2)29-18-21-32-35(26-29)48-36-27-30(41(7-3)8-4)19-22-33(36)38(32)34-23-20-31(28-37(34)50(45,46)47)49(43,44)39-24-16-14-12-10-9-11-13-15-17-25-42/h18-23,25-28,39H,5-17,24H2,1-4H3