2-[3-(4-phenylbutoxy)phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[3-(4-phenylbutoxy)phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[3-(4-phenylbutoxy)phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[3-(4-phenylbutoxy)phenyl]ethyl ester IUPAC Name: 2-[3-(4-phenylbutoxy)phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[3-(4-phenylbutoxy)phenyl]ethyl ester Formula: C25H28O4S MolecularWeight: 424.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=CC=C2)OCCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=CC=C2)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C25H28O4S/c1-21-13-15-25(16-14-21)30(26,27)29-19-17-23-11-7-12-24(20-23)28-18-6-5-10-22-8-3-2-4-9-22/h2-4,7-9,11-16,20H,5-6,10,17-19H2,1H3