3-(phenylmethyl)-2-sulfo-imidazole-4-carboxylic acid

Systemtic Name: 3-(phenylmethyl)-2-sulfo-imidazole-4-carboxylic acid Openeye Name: 3-benzyl-2-sulfo-imidazole-4-carboxylic acid CAS Name: 3-(phenylmethyl)-2-sulfo-4-imidazolecarboxylic acid IUPAC Name: 3-benzyl-2-sulfoimidazole-4-carboxylic acid Traditional Name: 3-benzyl-2-sulfo-imidazole-4-carboxylic acid Formula: C11H10N2O5S MolecularWeight: 282.2725

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CN=C2S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CN=C2S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C11H10N2O5S/c14-10(15)9-6-12-11(19(16,17)18)13(9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15)(H,16,17,18)