4-[5,6-bis(chloranyl)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]but-2-yne-1-sulfonic acid hydroxide

Systemtic Name: 4-[5,6-bis(chloranyl)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]but-2-yne-1-sulfonic acid hydroxide Openeye Name: 4-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)but-2-yne-1-sulfonic acid hydroxide CAS Name: 4-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)-2-butyne-1-sulfonic acid hydroxide IUPAC Name: 4-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)but-2-yne-1-sulfonic acid hydroxide Traditional Name: 4-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)but-2-yne-1-sulfonic acid hydroxide Formula: C14H17Cl2N2O4S- MolecularWeight: 380.26678

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(N(C2=CC(=C(C=C21)Cl)Cl)CC#CCS(=O)(=O)O)C.[OH-]

Isomeric SMILES

CCN1C(N(C2=CC(=C(C=C21)Cl)Cl)CC#CCS(=O)(=O)O)C.[OH-]

InChI

InChI=1S/C14H16Cl2N2O3S.H2O/c1-3-17-10(2)18(6-4-5-7-22(19,20)21)14-9-12(16)11(15)8-13(14)17;/h8-10H,3,6-7H2,1-2H3,(H,19,20,21);1H2/p-1