(3-methyl-5-phenethyloxy-phenyl) benzenesulfonate

Systemtic Name: (3-methyl-5-phenethyloxy-phenyl) benzenesulfonate Openeye Name: (3-methyl-5-phenethyloxy-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid (3-methyl-5-phenethyloxyphenyl) ester IUPAC Name: (3-methyl-5-phenethyloxyphenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (3-methyl-5-phenethyloxy-phenyl) ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H20O4S/c1-17-14-19(24-13-12-18-8-4-2-5-9-18)16-20(15-17)25-26(22,23)21-10-6-3-7-11-21/h2-11,14-16H,12-13H2,1H3