phenylsulfonylmethyl 4-methylbenzenesulfonate

Systemtic Name: phenylsulfonylmethyl 4-methylbenzenesulfonate Openeye Name: benzenesulfonylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid benzenesulfonylmethyl ester IUPAC Name: benzenesulfonylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid besylmethyl ester Formula: C14H14O5S2 MolecularWeight: 326.38796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14O5S2/c1-12-7-9-14(10-8-12)21(17,18)19-11-20(15,16)13-5-3-2-4-6-13/h2-10H,11H2,1H3