(7E)-8,12-dimethyl-1-phosphono-trideca-7,11-diene-1-sulfonic acid

Systemtic Name: (7E)-8,12-dimethyl-1-phosphono-trideca-7,11-diene-1-sulfonic acid Openeye Name: (7E)-8,12-dimethyl-1-phosphono-trideca-7,11-diene-1-sulfonic acid CAS Name: (7E)-8,12-dimethyl-1-phosphono-1-trideca-7,11-dienesulfonic acid IUPAC Name: (7E)-8,12-dimethyl-1-phosphonotrideca-7,11-diene-1-sulfonic acid Traditional Name: (7E)-8,12-dimethyl-1-phosphono-trideca-7,11-diene-1-sulfonic acid Formula: C15H29O6PS MolecularWeight: 368.425921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCCCCC(P(=O)(O)O)S(=O)(=O)O)C)C

Isomeric SMILES

CC(=CCC/C(=C/CCCCCC(P(=O)(O)O)S(=O)(=O)O)/C)C

InChI

InChI=1S/C15H29O6PS/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-15(22(16,17)18)23(19,20)21/h9-10,15H,4-8,11-12H2,1-3H3,(H2,16,17,18)(H,19,20,21)/b14-10+