[5-(chloromethyl)-2-phenylmethoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [5-(chloromethyl)-2-phenylmethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-benzyloxy-5-(chloromethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(chloromethyl)-2-phenylmethoxyphenyl] ester IUPAC Name: [5-(chloromethyl)-2-phenylmethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-benzoxy-5-(chloromethyl)phenyl] ester Formula: C21H19ClO4S MolecularWeight: 402.89116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CCl)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)CCl)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19ClO4S/c1-16-7-10-19(11-8-16)27(23,24)26-21-13-18(14-22)9-12-20(21)25-15-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3