imidazol-1-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: imidazol-1-ylmethyl 4-methylbenzenesulfonate Openeye Name: imidazol-1-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-imidazolylmethyl ester IUPAC Name: imidazol-1-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid imidazol-1-ylmethyl ester Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCN2C=CN=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCN2C=CN=C2

InChI

InChI=1S/C11H12N2O3S/c1-10-2-4-11(5-3-10)17(14,15)16-9-13-7-6-12-8-13/h2-8H,9H2,1H3