2-methylidenebutyl 4-methylbenzenesulfonate

Systemtic Name: 2-methylidenebutyl 4-methylbenzenesulfonate Openeye Name: 2-methylenebutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-methylenebutyl ester IUPAC Name: 2-methylidenebutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-ethylallyl ester Formula: C12H16O3S MolecularWeight: 240.31864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCC(=C)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H16O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h5-8H,2,4,9H2,1,3H3