(3-phenethyloxyphenyl) 2-methoxy-5-methyl-benzenesulfonate

Systemtic Name: (3-phenethyloxyphenyl) 2-methoxy-5-methyl-benzenesulfonate Openeye Name: (3-phenethyloxyphenyl) 2-methoxy-5-methyl-benzenesulfonate CAS Name: 2-methoxy-5-methylbenzenesulfonic acid (3-phenethyloxyphenyl) ester IUPAC Name: (3-phenethyloxyphenyl) 2-methoxy-5-methylbenzenesulfonate Traditional Name: 2-methoxy-5-methyl-benzenesulfonic acid (3-phenethyloxyphenyl) ester Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)OC2=CC=CC(=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)OC2=CC=CC(=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H22O5S/c1-17-11-12-21(25-2)22(15-17)28(23,24)27-20-10-6-9-19(16-20)26-14-13-18-7-4-3-5-8-18/h3-12,15-16H,13-14H2,1-2H3