[(E)-8-(4-phenylmethoxyphenyl)oct-5-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-8-(4-phenylmethoxyphenyl)oct-5-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-8-(4-benzyloxyphenyl)oct-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-8-(4-phenylmethoxyphenyl)oct-5-enyl] ester IUPAC Name: [(E)-8-(4-phenylmethoxyphenyl)oct-5-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-8-(4-benzoxyphenyl)oct-5-enyl] ester Formula: C28H32O4S MolecularWeight: 464.61628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC=CCCC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC/C=C/CCC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H32O4S/c1-24-14-20-28(21-15-24)33(29,30)32-22-10-5-3-2-4-7-11-25-16-18-27(19-17-25)31-23-26-12-8-6-9-13-26/h2,4,6,8-9,12-21H,3,5,7,10-11,22-23H2,1H3/b4-2+