[3-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(3-phenoxypropoxy)phenyl] ester IUPAC Name: [3-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(3-phenoxypropoxy)phenyl] ester Formula: C22H22O5S MolecularWeight: 398.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)OCCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)OCCCOC3=CC=CC=C3

InChI

InChI=1S/C22H22O5S/c1-18-11-13-22(14-12-18)28(23,24)27-21-10-5-9-20(17-21)26-16-6-15-25-19-7-3-2-4-8-19/h2-5,7-14,17H,6,15-16H2,1H3