potassium 4-[2-[(E,3E)-3-[5,6-bis(chloranyl)-1-ethyl-3-(3-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-5,6-bis(chloranyl)-3-methyl-benzimidazol-3-ium-1-yl]butane-2-sulfonate

Systemtic Name: potassium 4-[2-[(E,3E)-3-[5,6-bis(chloranyl)-1-ethyl-3-(3-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-5,6-bis(chloranyl)-3-methyl-benzimidazol-3-ium-1-yl]butane-2-sulfonate Openeye Name: potassium 4-[5,6-dichloro-2-[(E,3E)-3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-methyl-benzimidazol-3-ium-1-yl]butane-2-sulfonate CAS Name: potassium 4-[5,6-dichloro-2-[(E,3E)-3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)-2-benzimidazolylidene]prop-1-enyl]-3-methyl-1-benzimidazol-3-iumyl]-2-butanesulfonate IUPAC Name: potassium 4-[5,6-dichloro-2-[(E,3E)-3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-methylbenzimidazol-3-ium-1-yl]butane-2-sulfonate Traditional Name: potassium 4-[5,6-dichloro-2-[(E,3E)-3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-methyl-benzimidazol-3-ium-1-yl]butane-2-sulfonate Formula: C28H32Cl4KN4O6S2+ MolecularWeight: 765.61718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=CC(=C(C=C4N3CCC(C)S(=O)(=O)[O-])Cl)Cl)C)CCC(C)S(=O)(=O)O)Cl)Cl.[K+]

Isomeric SMILES

CCN\1C2=CC(=C(C=C2N(/C1=C/C=C/C3=[N+](C4=CC(=C(C=C4N3CCC(C)S(=O)(=O)[O-])Cl)Cl)C)CCC(C)S(=O)(=O)O)Cl)Cl.[K+]

InChI

InChI=1S/C28H32Cl4N4O6S2.K/c1-5-34-25-15-21(31)22(32)16-26(25)36(12-10-18(3)44(40,41)42)28(34)8-6-7-27-33(4)23-13-19(29)20(30)14-24(23)35(27)11-9-17(2)43(37,38)39;/h6-8,13-18H,5,9-12H2,1-4H3,(H-,37,38,39,40,41,42);/q;+1