(4E,8E)-5,9,13-trimethyl-1-sulfanyl-tetradeca-4,8,12-triene-2-sulfonic acid

Systemtic Name: (4E,8E)-5,9,13-trimethyl-1-sulfanyl-tetradeca-4,8,12-triene-2-sulfonic acid Openeye Name: (4E,8E)-5,9,13-trimethyl-1-sulfanyl-tetradeca-4,8,12-triene-2-sulfonic acid CAS Name: (4E,8E)-1-mercapto-5,9,13-trimethyl-2-tetradeca-4,8,12-trienesulfonic acid IUPAC Name: (4E,8E)-5,9,13-trimethyl-1-sulfanyltetradeca-4,8,12-triene-2-sulfonic acid Traditional Name: (4E,8E)-1-mercapto-5,9,13-trimethyl-tetradeca-4,8,12-triene-2-sulfonic acid Formula: C17H30O3S2 MolecularWeight: 346.5483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCC(CS)S(=O)(=O)O)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CC(CS)S(=O)(=O)O)/C)/C)C

InChI

InChI=1S/C17H30O3S2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-17(13-21)22(18,19)20/h7,9,11,17,21H,5-6,8,10,12-13H2,1-4H3,(H,18,19,20)/b15-9+,16-11+