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

Systemtic Name: [4-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(3-phenoxypropoxy)phenyl] ester IUPAC Name: [4-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(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=C(C=C2)OCCCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

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