1-phenylmethoxyoctan-3-yl 4-methylbenzenesulfonate

Systemtic Name: 1-phenylmethoxyoctan-3-yl 4-methylbenzenesulfonate Openeye Name: 1-(2-benzyloxyethyl)hexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-phenylmethoxyoctan-3-yl ester IUPAC Name: 1-phenylmethoxyoctan-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(2-benzoxyethyl)hexyl ester Formula: C22H30O4S MolecularWeight: 390.5362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCOCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC(CCOCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H30O4S/c1-3-4-6-11-21(16-17-25-18-20-9-7-5-8-10-20)26-27(23,24)22-14-12-19(2)13-15-22/h5,7-10,12-15,21H,3-4,6,11,16-18H2,1-2H3