phenyl 2-imidazol-1-ylethanesulfonate

Systemtic Name: phenyl 2-imidazol-1-ylethanesulfonate Openeye Name: phenyl 2-imidazol-1-ylethanesulfonate CAS Name: 2-(1-imidazolyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-imidazol-1-ylethanesulfonate Traditional Name: 2-imidazol-1-ylethanesulfonic acid phenyl ester Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C=CN=C2

InChI

InChI=1S/C11H12N2O3S/c14-17(15,9-8-13-7-6-12-10-13)16-11-4-2-1-3-5-11/h1-7,10H,8-9H2