(phenylmethyl) 4-[3,5-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]benzoate

Systemtic Name: (phenylmethyl) 4-[3,5-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]benzoate Openeye Name: benzyl 4-[3,5-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]benzoate CAS Name: 4-[3,5-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3,5-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]benzoate Traditional Name: 4-[3,5-dimethyl-4-(2-methylsulfonyloxyethoxy)phenyl]benzoic acid benzyl ester Formula: C25H26O6S MolecularWeight: 454.53534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCOS(=O)(=O)C)C)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1OCCOS(=O)(=O)C)C)C2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26O6S/c1-18-15-23(16-19(2)24(18)29-13-14-31-32(3,27)28)21-9-11-22(12-10-21)25(26)30-17-20-7-5-4-6-8-20/h4-12,15-16H,13-14,17H2,1-3H3