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

Systemtic Name: [6-(diethylamino)-9-[4-(2-methylsulfonylsulfanylethylsulfamoyl)-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-[4-(2-methylsulfonylsulfanylethylsulfamoyl)-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-[4-[2-(methylsulfonylthio)ethylsulfamoyl]-2-sulfophenyl]-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-[4-(2-methylsulfonylsulfanylethylsulfamoyl)-2-sulfophenyl]xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-[4-[2-(mesylthio)ethylsulfamoyl]-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-ammonium Formula: C30H38N3O8S4+ MolecularWeight: 696.89802

Click to see the large picture

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)NCCSS(=O)(=O)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)NCCSS(=O)(=O)C)S(=O)(=O)O

InChI

InChI=1S/C30H37N3O8S4/c1-6-32(7-2)21-10-13-24-27(18-21)41-28-19-22(33(8-3)9-4)11-14-25(28)30(24)26-15-12-23(20-29(26)45(38,39)40)44(36,37)31-16-17-42-43(5,34)35/h10-15,18-20,31H,6-9,16-17H2,1-5H3/p+1