3-butyl-5-chloranyl-benzenesulfonic acid

Systemtic Name: 3-butyl-5-chloranyl-benzenesulfonic acid Openeye Name: 3-butyl-5-chloro-benzenesulfonic acid CAS Name: 3-butyl-5-chlorobenzenesulfonic acid IUPAC Name: 3-butyl-5-chlorobenzenesulfonic acid Traditional Name: 3-butyl-5-chloro-besylic acid Formula: C10H13ClO3S MolecularWeight: 248.72642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1)Cl)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC(=CC(=C1)Cl)S(=O)(=O)O

InChI

InChI=1S/C10H13ClO3S/c1-2-3-4-8-5-9(11)7-10(6-8)15(12,13)14/h5-7H,2-4H2,1H3,(H,12,13,14)