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

Systemtic Name: 2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-(prop-2-ynylsulfamoyl)benzenesulfonate Openeye Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-(prop-2-ynylsulfamoyl)benzenesulfonate CAS Name: 2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]-5-(prop-2-ynylsulfamoyl)benzenesulfonate IUPAC Name: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-(prop-2-ynylsulfamoyl)benzenesulfonate Traditional Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-(propargylsulfamoyl)besylate Formula: C30H33N3O6S2 MolecularWeight: 595.72952

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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)NCC#C)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)NCC#C)S(=O)(=O)[O-]

InChI

InChI=1S/C30H33N3O6S2/c1-6-17-31-40(34,35)23-13-16-26(29(20-23)41(36,37)38)30-24-14-11-21(32(7-2)8-3)18-27(24)39-28-19-22(12-15-25(28)30)33(9-4)10-5/h1,11-16,18-20,31H,7-10,17H2,2-5H3