dipotassium 3-[[2-sulfanylidene-3-(3-sulfonatopropoxymethyl)benzimidazol-1-yl]methoxy]propane-1-sulfonate

Systemtic Name: dipotassium 3-[[2-sulfanylidene-3-(3-sulfonatopropoxymethyl)benzimidazol-1-yl]methoxy]propane-1-sulfonate Openeye Name: dipotassium 3-[[3-(3-sulfonatopropoxymethyl)-2-thioxo-benzimidazol-1-yl]methoxy]propane-1-sulfonate CAS Name: dipotassium 3-[[2-sulfanylidene-3-(3-sulfonatopropoxymethyl)-1-benzimidazolyl]methoxy]-1-propanesulfonate IUPAC Name: dipotassium 3-[[2-sulfanylidene-3-(3-sulfonatopropoxymethyl)benzimidazol-1-yl]methoxy]propane-1-sulfonate Traditional Name: dipotassium 3-[[3-(3-sulfonatopropoxymethyl)-2-thioxo-benzimidazol-1-yl]methoxy]propane-1-sulfonate Formula: C15H20K2N2O8S3 MolecularWeight: 530.7195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)N2COCCCS(=O)(=O)[O-])COCCCS(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)N2COCCCS(=O)(=O)[O-])COCCCS(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C15H22N2O8S3.2K/c18-27(19,20)9-3-7-24-11-16-13-5-1-2-6-14(13)17(15(16)26)12-25-8-4-10-28(21,22)23;;/h1-2,5-6H,3-4,7-12H2,(H,18,19,20)(H,21,22,23);;/q;2*+1/p-2