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

Systemtic Name: (2-methyl-3-oxidanyl-3-phenyl-propyl) 4-methylbenzenesulfonate Openeye Name: (3-hydroxy-2-methyl-3-phenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-hydroxy-2-methyl-3-phenylpropyl) ester IUPAC Name: (3-hydroxy-2-methyl-3-phenylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-hydroxy-2-methyl-3-phenyl-propyl) ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O4S/c1-13-8-10-16(11-9-13)22(19,20)21-12-14(2)17(18)15-6-4-3-5-7-15/h3-11,14,17-18H,12H2,1-2H3