phenyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonate Openeye Name: phenyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonate CAS Name: 2-[2-(hydroxymethyl)-1-benzimidazolyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonate Traditional Name: 2-(2-methylolbenzimidazol-1-yl)ethanesulfonic acid phenyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)CCN2C3=CC=CC=C3N=C2CO

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)CCN2C3=CC=CC=C3N=C2CO

InChI

InChI=1S/C16H16N2O4S/c19-12-16-17-14-8-4-5-9-15(14)18(16)10-11-23(20,21)22-13-6-2-1-3-7-13/h1-9,19H,10-12H2