(4-phenylmethoxyphenyl) 4-chloranyl-3-methyl-benzenesulfonate

Systemtic Name: (4-phenylmethoxyphenyl) 4-chloranyl-3-methyl-benzenesulfonate Openeye Name: (4-benzyloxyphenyl) 4-chloro-3-methyl-benzenesulfonate CAS Name: 4-chloro-3-methylbenzenesulfonic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 4-chloro-3-methylbenzenesulfonate Traditional Name: 4-chloro-3-methyl-benzenesulfonic acid (4-benzoxyphenyl) ester Formula: C20H17ClO4S MolecularWeight: 388.86458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClO4S/c1-15-13-19(11-12-20(15)21)26(22,23)25-18-9-7-17(8-10-18)24-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3