[5-(oxan-2-yloxy)-3-phenyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [5-(oxan-2-yloxy)-3-phenyl-pentyl] 4-methylbenzenesulfonate Openeye Name: (3-phenyl-5-tetrahydropyran-2-yloxy-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(2-oxanyloxy)-3-phenylpentyl] ester IUPAC Name: [5-(oxan-2-yloxy)-3-phenylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-phenyl-5-tetrahydropyran-2-yloxy-pentyl) ester Formula: C23H30O5S MolecularWeight: 418.5463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCOC2CCCCO2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CCOC2CCCCO2)C3=CC=CC=C3

InChI

InChI=1S/C23H30O5S/c1-19-10-12-22(13-11-19)29(24,25)28-18-15-21(20-7-3-2-4-8-20)14-17-27-23-9-5-6-16-26-23/h2-4,7-8,10-13,21,23H,5-6,9,14-18H2,1H3