(2-methyl-3-phenyl-phenyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-3-phenyl-phenyl)methyl 4-methylbenzenesulfonate Openeye Name: (2-methyl-3-phenyl-phenyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-3-phenylphenyl)methyl ester IUPAC Name: (2-methyl-3-phenylphenyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methyl-3-phenyl-benzyl) ester Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC(=C2C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC(=C2C)C3=CC=CC=C3

InChI

InChI=1S/C21H20O3S/c1-16-11-13-20(14-12-16)25(22,23)24-15-19-9-6-10-21(17(19)2)18-7-4-3-5-8-18/h3-14H,15H2,1-2H3