(2,2-dimethyl-3-phenyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-3-phenyl-propyl) 4-methylbenzenesulfonate Openeye Name: (2,2-dimethyl-3-phenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-3-phenylpropyl) ester IUPAC Name: (2,2-dimethyl-3-phenylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-3-phenyl-propyl) ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)CC2=CC=CC=C2

InChI

InChI=1S/C18H22O3S/c1-15-9-11-17(12-10-15)22(19,20)21-14-18(2,3)13-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3