3-phenylmethoxybutyl 4-methylbenzenesulfonate

Systemtic Name: 3-phenylmethoxybutyl 4-methylbenzenesulfonate Openeye Name: 3-benzyloxybutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-phenylmethoxybutyl ester IUPAC Name: 3-phenylmethoxybutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-benzoxybutyl ester Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)OCC2=CC=CC=C2

InChI

InChI=1S/C18H22O4S/c1-15-8-10-18(11-9-15)23(19,20)22-13-12-16(2)21-14-17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3