[2-(hydroxymethyl)-3-phenyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: (2-benzyl-3-hydroxy-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(hydroxymethyl)-3-phenylpropyl] ester IUPAC Name: (2-benzyl-3-hydroxypropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-benzyl-3-hydroxy-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(CC2=CC=CC=C2)CO

Isomeric SMILES

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

InChI

InChI=1S/C17H20O4S/c1-14-7-9-17(10-8-14)22(19,20)21-13-16(12-18)11-15-5-3-2-4-6-15/h2-10,16,18H,11-13H2,1H3