[6-(diethylamino)-9-(2-methylperoxysulfanyl-4-sulfo-phenyl)xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-(2-methylperoxysulfanyl-4-sulfo-phenyl)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-(2-methylperoxysulfanyl-4-sulfo-phenyl)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-[2-(methyldioxythio)-4-sulfophenyl]-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-(2-methylperoxysulfanyl-4-sulfophenyl)xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-[2-(methylperoxythio)-4-sulfo-phenyl]xanthen-3-ylidene]-diethyl-ammonium Formula: C28H33N2O6S2+ MolecularWeight: 557.70142

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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)SOOC

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)SOOC

InChI

InChI=1S/C28H32N2O6S2/c1-6-29(7-2)19-10-13-22-25(16-19)35-26-17-20(30(8-3)9-4)11-14-23(26)28(22)24-15-12-21(38(31,32)33)18-27(24)37-36-34-5/h10-18H,6-9H2,1-5H3/p+1