3-octyl-2,5-bis(oxidanyl)benzenesulfonic acid

Systemtic Name: 3-octyl-2,5-bis(oxidanyl)benzenesulfonic acid Openeye Name: 2,5-dihydroxy-3-octyl-benzenesulfonic acid CAS Name: 2,5-dihydroxy-3-octylbenzenesulfonic acid IUPAC Name: 2,5-dihydroxy-3-octylbenzenesulfonic acid Traditional Name: 2,5-dihydroxy-3-octyl-besylic acid Formula: C14H22O5S MolecularWeight: 302.38648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC(=C1O)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCC1=CC(=CC(=C1O)S(=O)(=O)O)O

InChI

InChI=1S/C14H22O5S/c1-2-3-4-5-6-7-8-11-9-12(15)10-13(14(11)16)20(17,18)19/h9-10,15-16H,2-8H2,1H3,(H,17,18,19)