[6-(diethylamino)-9-[4-[3-[3-[4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propylsulfamoyl]-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-azanium

Systemtic Name: [6-(diethylamino)-9-[4-[3-[3-[4-(1-methylindol-3-yl)-2,5-bis(oxidanylidene)pyrrol-3-yl]indol-1-yl]propylsulfamoyl]-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-azanium Openeye Name: [6-(diethylamino)-9-[4-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]indol-1-yl]propylsulfamoyl]-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-ammonium CAS Name: [6-(diethylamino)-9-[4-[3-[3-[4-(1-methyl-3-indolyl)-2,5-dioxo-3-pyrrolyl]-1-indolyl]propylsulfamoyl]-2-sulfophenyl]-3-xanthenylidene]-diethylammonium IUPAC Name: [6-(diethylamino)-9-[4-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propylsulfamoyl]-2-sulfophenyl]xanthen-3-ylidene]-diethylazanium Traditional Name: [6-(diethylamino)-9-[4-[3-[3-[2,5-diketo-4-(1-methylindol-3-yl)-3-pyrrolin-3-yl]indol-1-yl]propylsulfamoyl]-2-sulfo-phenyl]xanthen-3-ylidene]-diethyl-ammonium Formula: C51H51N6O8S2+ MolecularWeight: 940.11604

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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)NCCCN5C=C(C6=CC=CC=C65)C7=C(C(=O)NC7=O)C8=CN(C9=CC=CC=C98)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)NCCCN5C=C(C6=CC=CC=C65)C7=C(C(=O)NC7=O)C8=CN(C9=CC=CC=C98)C)S(=O)(=O)O

InChI

InChI=1S/C51H50N6O8S2/c1-6-55(7-2)32-19-22-37-44(27-32)65-45-28-33(56(8-3)9-4)20-23-38(45)47(37)39-24-21-34(29-46(39)67(62,63)64)66(60,61)52-25-14-26-57-31-41(36-16-11-13-18-43(36)57)49-48(50(58)53-51(49)59)40-30-54(5)42-17-12-10-15-35(40)42/h10-13,15-24,27-31,52H,6-9,14,25-26H2,1-5H3,(H-,53,58,59,62,63,64)/p+1