4-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-3-fluorosulfonyl-benzenesulfonate

Systemtic Name: 4-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]-3-fluorosulfonyl-benzenesulfonate Openeye Name: 4-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-3-fluorosulfonyl-benzenesulfonate CAS Name: 4-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]-3-fluorosulfonylbenzenesulfonate IUPAC Name: 4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]-3-fluorosulfonylbenzenesulfonate Traditional Name: 4-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]-3-fluorosulfonyl-besylate Formula: C27H29FN2O6S2 MolecularWeight: 560.657363

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

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

InChI

InChI=1S/C27H29FN2O6S2/c1-5-29(6-2)18-9-12-21-24(15-18)36-25-16-19(30(7-3)8-4)10-13-22(25)27(21)23-14-11-20(38(33,34)35)17-26(23)37(28,31)32/h9-17H,5-8H2,1-4H3