1-phenylmethoxybutyl 4-methylbenzenesulfonate

Systemtic Name: 1-phenylmethoxybutyl 4-methylbenzenesulfonate Openeye Name: 1-benzyloxybutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-phenylmethoxybutyl ester IUPAC Name: 1-phenylmethoxybutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-benzoxybutyl ester Formula: C18H22O4S MolecularWeight: 334.42988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(OCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(OCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H22O4S/c1-3-7-18(21-14-16-8-5-4-6-9-16)22-23(19,20)17-12-10-15(2)11-13-17/h4-6,8-13,18H,3,7,14H2,1-2H3