[2-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3-phenoxypropoxy)phenyl] ester IUPAC Name: [2-(3-phenoxypropoxy)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(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=C2OCCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2OCCCOC3=CC=CC=C3

InChI

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