4-[2-[3-[5,6-bis(chloranyl)-1-ethyl-3-(3-sulfobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-5,6-bis(chloranyl)-3-ethyl-benzimidazol-1-yl]butane-2-sulfonate; N,N-diethylethanamine

Systemtic Name: 4-[2-[3-[5,6-bis(chloranyl)-1-ethyl-3-(3-sulfobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-5,6-bis(chloranyl)-3-ethyl-benzimidazol-1-yl]butane-2-sulfonate; N,N-diethylethanamine Openeye Name: 4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-benzimidazol-1-yl]butane-2-sulfonate; N,N-diethylethanamine CAS Name: 4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)-2-benzimidazol-3-iumyl]prop-2-enylidene]-3-ethyl-1-benzimidazolyl]-2-butanesulfonate; N,N-diethylethanamine IUPAC Name: 4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-2-sulfonate; N,N-diethylethanamine Traditional Name: 4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-benzimidazol-1-yl]butane-2-sulfonate; triethylamine Formula: C35H49Cl4N5O6S2 MolecularWeight: 841.73546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CCC(C)S(=O)(=O)[O-])Cl)Cl)CC)CCC(C)S(=O)(=O)O)Cl)Cl.CCN(CC)CC

Isomeric SMILES

CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CCC(C)S(=O)(=O)[O-])Cl)Cl)CC)CCC(C)S(=O)(=O)O)Cl)Cl.CCN(CC)CC

InChI

InChI=1S/C29H34Cl4N4O6S2.C6H15N/c1-5-34-24-14-20(30)22(32)16-26(24)36(12-10-18(3)44(38,39)40)28(34)8-7-9-29-35(6-2)25-15-21(31)23(33)17-27(25)37(29)13-11-19(4)45(41,42)43;1-4-7(5-2)6-3/h7-9,14-19H,5-6,10-13H2,1-4H3,(H-,38,39,40,41,42,43);4-6H2,1-3H3