(2-oxidanyl-2-phenyl-butyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanyl-2-phenyl-butyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-2-phenyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-2-phenylbutyl) ester IUPAC Name: (2-hydroxy-2-phenylbutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-2-phenyl-butyl) ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COS(=O)(=O)C1=CC=C(C=C1)C)(C2=CC=CC=C2)O

Isomeric SMILES

CCC(COS(=O)(=O)C1=CC=C(C=C1)C)(C2=CC=CC=C2)O

InChI

InChI=1S/C17H20O4S/c1-3-17(18,15-7-5-4-6-8-15)13-21-22(19,20)16-11-9-14(2)10-12-16/h4-12,18H,3,13H2,1-2H3