4-methyl-2-(2-oxidanylbut-3-enyl)benzenesulfonic acid

Systemtic Name: 4-methyl-2-(2-oxidanylbut-3-enyl)benzenesulfonic acid Openeye Name: 2-(2-hydroxybut-3-enyl)-4-methyl-benzenesulfonic acid CAS Name: 2-(2-hydroxybut-3-enyl)-4-methylbenzenesulfonic acid IUPAC Name: 2-(2-hydroxybut-3-enyl)-4-methylbenzenesulfonic acid Traditional Name: 2-(2-hydroxybut-3-enyl)-4-methyl-besylic acid Formula: C11H14O4S MolecularWeight: 242.29146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-3-10(12)7-9-6-8(2)4-5-11(9)16(13,14)15/h3-6,10,12H,1,7H2,2H3,(H,13,14,15)