phenethyl 2-methylbut-3-ene-2-sulfonate

Systemtic Name: phenethyl 2-methylbut-3-ene-2-sulfonate Openeye Name: phenethyl 2-methylbut-3-ene-2-sulfonate CAS Name: 2-methyl-3-butene-2-sulfonic acid phenethyl ester IUPAC Name: phenethyl 2-methylbut-3-ene-2-sulfonate Traditional Name: 2-methylbut-3-ene-2-sulfonic acid phenethyl ester Formula: C13H18O3S MolecularWeight: 254.34522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)S(=O)(=O)OCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C=C)S(=O)(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C13H18O3S/c1-4-13(2,3)17(14,15)16-11-10-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3