3-oxidanyl-4-propyl-benzenesulfonic acid

Systemtic Name: 3-oxidanyl-4-propyl-benzenesulfonic acid Openeye Name: 3-hydroxy-4-propyl-benzenesulfonic acid CAS Name: 3-hydroxy-4-propylbenzenesulfonic acid IUPAC Name: 3-hydroxy-4-propylbenzenesulfonic acid Traditional Name: 3-hydroxy-4-propyl-besylic acid Formula: C9H12O4S MolecularWeight: 216.25418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)S(=O)(=O)O)O

Isomeric SMILES

CCCC1=C(C=C(C=C1)S(=O)(=O)O)O

InChI

InChI=1S/C9H12O4S/c1-2-3-7-4-5-8(6-9(7)10)14(11,12)13/h4-6,10H,2-3H2,1H3,(H,11,12,13)