3-methoxybutyl 4-methylbenzenesulfonate

Systemtic Name: 3-methoxybutyl 4-methylbenzenesulfonate Openeye Name: 3-methoxybutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-methoxybutyl ester IUPAC Name: 3-methoxybutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-methoxybutyl ester Formula: C12H18O4S MolecularWeight: 258.33392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)OC

InChI

InChI=1S/C12H18O4S/c1-10-4-6-12(7-5-10)17(13,14)16-9-8-11(2)15-3/h4-7,11H,8-9H2,1-3H3