(2-phenethylphenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-phenethylphenyl) 4-methylbenzenesulfonate Openeye Name: (2-phenethylphenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-phenethylphenyl) ester IUPAC Name: (2-phenethylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-phenethylphenyl) ester Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2CCC3=CC=CC=C3

InChI

InChI=1S/C21H20O3S/c1-17-11-15-20(16-12-17)25(22,23)24-21-10-6-5-9-19(21)14-13-18-7-3-2-4-8-18/h2-12,15-16H,13-14H2,1H3