(4-phenylmethoxyphenyl) 2,5-dimethylbenzenesulfonate

Systemtic Name: (4-phenylmethoxyphenyl) 2,5-dimethylbenzenesulfonate Openeye Name: (4-benzyloxyphenyl) 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid (4-benzoxyphenyl) ester Formula: C21H20O4S MolecularWeight: 368.4461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O4S/c1-16-8-9-17(2)21(14-16)26(22,23)25-20-12-10-19(11-13-20)24-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3