[6-(diethylamino)-9-[4-[[1-[[1-[[5-fluoranyl-1-oxidanyl-1,4-bis(oxidanylidene)pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]sulfamoyl]-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-[4-[[1-[[1-[[5-fluoranyl-1-oxidanyl-1,4-bis(oxidanylidene)pentan-3-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]sulfamoyl]-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-[4-[[1-[[2-[[1-(carboxymethyl)-3-fluoro-2-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]sulfamoyl]-2-sulfo-phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-[4-[[1-[[1-[(5-fluoro-1-hydroxy-1,4-dioxopentan-3-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]sulfamoyl]-2-sulfophenyl]-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-[4-[[1-[[1-[(5-fluoro-1-hydroxy-1,4-dioxopentan-3-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]sulfamoyl]-2-sulfophenyl]xanthen-3-ylidene]-diethylazanium Traditional Name: [9-[4-[[1-[[2-[[1-(carboxymethyl)-3-fluoro-2-keto-propyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]-2-methyl-propyl]sulfamoyl]-2-sulfo-phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C40H51FN5O11S2+ MolecularWeight: 860.988243

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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)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CF)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)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CF)S(=O)(=O)O

InChI

InChI=1S/C40H50FN5O11S2/c1-8-45(9-2)25-12-15-28-33(18-25)57-34-19-26(46(10-3)11-4)13-16-29(34)37(28)30-17-14-27(20-35(30)59(54,55)56)58(52,53)44-38(23(5)6)40(51)42-24(7)39(50)43-31(21-36(48)49)32(47)22-41/h12-20,23-24,31,38,44H,8-11,21-22H2,1-7H3,(H3-,42,43,48,49,50,51,54,55,56)/p+1