2-(2-sulfanylidenedodecyl)-1-(2-sulfoethyl)benzimidazole-5-sulfonic acid

Systemtic Name: 2-(2-sulfanylidenedodecyl)-1-(2-sulfoethyl)benzimidazole-5-sulfonic acid Openeye Name: 1-(2-sulfoethyl)-2-(2-thioxododecyl)benzimidazole-5-sulfonic acid CAS Name: 2-(2-sulfanylidenedodecyl)-1-(2-sulfoethyl)-5-benzimidazolesulfonic acid IUPAC Name: 2-(2-sulfanylidenedodecyl)-1-(2-sulfoethyl)benzimidazole-5-sulfonic acid Traditional Name: 1-(2-sulfoethyl)-2-(2-thioxododecyl)benzimidazole-5-sulfonic acid Formula: C21H32N2O6S3 MolecularWeight: 504.68358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=S)CC1=NC2=C(N1CCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCC(=S)CC1=NC2=C(N1CCS(=O)(=O)O)C=CC(=C2)S(=O)(=O)O

InChI

InChI=1S/C21H32N2O6S3/c1-2-3-4-5-6-7-8-9-10-17(30)15-21-22-19-16-18(32(27,28)29)11-12-20(19)23(21)13-14-31(24,25)26/h11-12,16H,2-10,13-15H2,1H3,(H,24,25,26)(H,27,28,29)