[2-(hydroxymethyl)-3-phenyl-propyl] benzenesulfonate

Systemtic Name: [2-(hydroxymethyl)-3-phenyl-propyl] benzenesulfonate Openeye Name: (2-benzyl-3-hydroxy-propyl) benzenesulfonate CAS Name: benzenesulfonic acid [2-(hydroxymethyl)-3-phenylpropyl] ester IUPAC Name: (2-benzyl-3-hydroxypropyl) benzenesulfonate Traditional Name: benzenesulfonic acid (2-benzyl-3-hydroxy-propyl) ester Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4S/c17-12-15(11-14-7-3-1-4-8-14)13-20-21(18,19)16-9-5-2-6-10-16/h1-10,15,17H,11-13H2