3-[(2Z)-2-[(E)-3-[5,6-bis(chloranyl)-1-methyl-3-propyl-benzimidazol-1-ium-2-yl]prop-2-enylidene]-5,6-bis(chloranyl)-3-propyl-benzimidazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-2-[(E)-3-[5,6-bis(chloranyl)-1-methyl-3-propyl-benzimidazol-1-ium-2-yl]prop-2-enylidene]-5,6-bis(chloranyl)-3-propyl-benzimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-methyl-3-propyl-benzimidazol-1-ium-2-yl)prop-2-enylidene]-3-propyl-benzimidazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-methyl-3-propyl-2-benzimidazol-1-iumyl)prop-2-enylidene]-3-propyl-1-benzimidazolyl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-methyl-3-propylbenzimidazol-1-ium-2-yl)prop-2-enylidene]-3-propylbenzimidazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-5,6-dichloro-2-[(E)-3-(5,6-dichloro-1-methyl-3-propyl-benzimidazol-1-ium-2-yl)prop-2-enylidene]-3-propyl-benzimidazol-1-yl]propane-1-sulfonic acid Formula: C27H31Cl4N4O3S+ MolecularWeight: 633.43704

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CCCS(=O)(=O)O)Cl)Cl)CCC)C)Cl)Cl

Isomeric SMILES

CCCN1C2=CC(=C(C=C2[N+](=C1/C=C/C=C\3/N(C4=CC(=C(C=C4N3CCCS(=O)(=O)O)Cl)Cl)CCC)C)Cl)Cl

InChI

InChI=1S/C27H30Cl4N4O3S/c1-4-10-33-23-15-19(29)18(28)14-22(23)32(3)26(33)8-6-9-27-34(11-5-2)24-16-20(30)21(31)17-25(24)35(27)12-7-13-39(36,37)38/h6,8-9,14-17H,4-5,7,10-13H2,1-3H3/p+1