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

Systemtic Name: [9-[4-(6-azanylhexylsulfamoyl)-2-sulfo-phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-azanium Openeye Name: [9-[4-(6-aminohexylsulfamoyl)-2-sulfo-phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium CAS Name: [9-[4-(6-aminohexylsulfamoyl)-2-sulfophenyl]-6-(diethylamino)-3-xanthenylidene]-diethylammonium IUPAC Name: [9-[4-(6-aminohexylsulfamoyl)-2-sulfophenyl]-6-(diethylamino)xanthen-3-ylidene]-diethylazanium Traditional Name: [9-[4-(6-aminohexylsulfamoyl)-2-sulfo-phenyl]-6-(diethylamino)xanthen-3-ylidene]-diethyl-ammonium Formula: C33H45N4O6S2+ MolecularWeight: 657.8636

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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)NCCCCCCN)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)NCCCCCCN)S(=O)(=O)O

InChI

InChI=1S/C33H44N4O6S2/c1-5-36(6-2)24-13-16-27-30(21-24)43-31-22-25(37(7-3)8-4)14-17-28(31)33(27)29-18-15-26(23-32(29)45(40,41)42)44(38,39)35-20-12-10-9-11-19-34/h13-18,21-23,35H,5-12,19-20,34H2,1-4H3/p+1