sodium 4-[2-[(E,3E)-3-[5,6-bis(chloranyl)-1-ethyl-3-(4-oxidanyl-4-oxidanylidene-butyl)benzimidazol-2-ylidene]prop-1-enyl]-5,6-bis(chloranyl)-3-ethyl-benzimidazol-1-ium-1-yl]butanoate

Systemtic Name: sodium 4-[2-[(E,3E)-3-[5,6-bis(chloranyl)-1-ethyl-3-(4-oxidanyl-4-oxidanylidene-butyl)benzimidazol-2-ylidene]prop-1-enyl]-5,6-bis(chloranyl)-3-ethyl-benzimidazol-1-ium-1-yl]butanoate Openeye Name: sodium 4-[5,6-dichloro-2-[(E,3E)-3-[5,6-dichloro-1-ethyl-3-(4-hydroxy-4-oxo-butyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-benzimidazol-1-ium-1-yl]butanoate CAS Name: sodium 4-[5,6-dichloro-2-[(E,3E)-3-[5,6-dichloro-1-ethyl-3-(4-hydroxy-4-oxobutyl)-2-benzimidazolylidene]prop-1-enyl]-3-ethyl-1-benzimidazol-1-iumyl]butanoate IUPAC Name: sodium 4-[5,6-dichloro-2-[(E,3E)-3-[5,6-dichloro-1-ethyl-3-(4-hydroxy-4-oxobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzimidazol-1-ium-1-yl]butanoate Traditional Name: sodium 4-[5,6-dichloro-2-[(E,3E)-3-[5,6-dichloro-1-ethyl-3-(4-hydroxy-4-keto-butyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-benzimidazol-1-ium-1-yl]butyrate Formula: C29H30Cl4N4NaO4+ MolecularWeight: 663.37467

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CCCC(=O)O)Cl)Cl)CC)CCCC(=O)[O-])Cl)Cl.[Na+]

Isomeric SMILES

CCN1C2=CC(=C(C=C2[N+](=C1/C=C/C=C/3\N(C4=CC(=C(C=C4N3CCCC(=O)O)Cl)Cl)CC)CCCC(=O)[O-])Cl)Cl.[Na+]

InChI

InChI=1S/C29H30Cl4N4O4.Na/c1-3-34-22-14-18(30)20(32)16-24(22)36(12-6-10-28(38)39)26(34)8-5-9-27-35(4-2)23-15-19(31)21(33)17-25(23)37(27)13-7-11-29(40)41;/h5,8-9,14-17H,3-4,6-7,10-13H2,1-2H3,(H-,38,39,40,41);/q;+1