(phenylmethyl) 4-phenylmethoxybutane-1-sulfonate

Systemtic Name: (phenylmethyl) 4-phenylmethoxybutane-1-sulfonate Openeye Name: benzyl 4-benzyloxybutane-1-sulfonate CAS Name: 4-phenylmethoxy-1-butanesulfonic acid IUPAC Name: benzyl 4-phenylmethoxybutane-1-sulfonate Traditional Name: 4-benzoxybutane-1-sulfonic acid benzyl ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCS(=O)(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COCCCCS(=O)(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H22O4S/c19-23(20,22-16-18-11-5-2-6-12-18)14-8-7-13-21-15-17-9-3-1-4-10-17/h1-6,9-12H,7-8,13-16H2