2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-[(4-methanoylphenyl)sulfamoyl]benzenesulfonate

Systemtic Name: 2-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-5-[(4-methanoylphenyl)sulfamoyl]benzenesulfonate Openeye Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-[(4-formylphenyl)sulfamoyl]benzenesulfonate CAS Name: 2-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]-5-[(4-formylphenyl)sulfamoyl]benzenesulfonate IUPAC Name: 2-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-5-[(4-formylphenyl)sulfamoyl]benzenesulfonate Traditional Name: 2-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-5-[(4-formylphenyl)sulfamoyl]besylate Formula: C34H35N3O7S2 MolecularWeight: 661.7876

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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)NC5=CC=C(C=C5)C=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)NC5=CC=C(C=C5)C=O)S(=O)(=O)[O-]

InChI

InChI=1S/C34H35N3O7S2/c1-5-36(6-2)25-13-16-28-31(19-25)44-32-20-26(37(7-3)8-4)14-17-29(32)34(28)30-18-15-27(21-33(30)46(41,42)43)45(39,40)35-24-11-9-23(22-38)10-12-24/h9-22H,5-8H2,1-4H3,(H-,35,38,41,42,43)