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4-(3H-benzimidazol-1-ium-1-ylsulfonyl)benzoate

4-(3H-benzimidazol-1-ium-1-ylsulfonyl)benzoate

Systemtic Name:4-(3H-benzimidazol-1-ium-1-ylsulfonyl)benzoate
Openeye Name:4-(3H-benzimidazol-1-ium-1-ylsulfonyl)benzoate
CAS Name:4-(3H-benzimidazol-1-ium-1-ylsulfonyl)benzoate
IUPAC Name:4-(3H-benzimidazol-1-ium-1-ylsulfonyl)benzoate
Traditional Name:4-(3H-benzimidazol-1-ium-1-ylsulfonyl)benzoate
Formula: C14H10N2O4S
MolecularWeight: 302.3052
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC=[N+]2S(=O)(=O)C3=CC=C(C=C3)C(=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)NC=[N+]2S(=O)(=O)C3=CC=C(C=C3)C(=O)[O-]


InChI

InChI=1S/C14H10N2O4S/c17-14(18)10-5-7-11(8-6-10)21(19,20)16-9-15-12-3-1-2-4-13(12)16/h1-9H,(H,17,18)


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