(4-phenylmethoxyphenyl) 4-chloranyl-2,5-dimethyl-benzenesulfonate

Systemtic Name: (4-phenylmethoxyphenyl) 4-chloranyl-2,5-dimethyl-benzenesulfonate Openeye Name: (4-benzyloxyphenyl) 4-chloro-2,5-dimethyl-benzenesulfonate CAS Name: 4-chloro-2,5-dimethylbenzenesulfonic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 4-chloro-2,5-dimethylbenzenesulfonate Traditional Name: 4-chloro-2,5-dimethyl-benzenesulfonic acid (4-benzoxyphenyl) ester Formula: C21H19ClO4S MolecularWeight: 402.89116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19ClO4S/c1-15-13-21(16(2)12-20(15)22)27(23,24)26-19-10-8-18(9-11-19)25-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3