(E)-9-(2-methylphenyl)-2-phosphono-non-6-ene-2-sulfonic acid

Systemtic Name: (E)-9-(2-methylphenyl)-2-phosphono-non-6-ene-2-sulfonic acid Openeye Name: (E)-9-(o-tolyl)-2-phosphono-non-6-ene-2-sulfonic acid CAS Name: (E)-9-(2-methylphenyl)-2-phosphono-6-nonene-2-sulfonic acid IUPAC Name: (E)-9-(2-methylphenyl)-2-phosphononon-6-ene-2-sulfonic acid Traditional Name: (E)-9-(o-tolyl)-2-phosphono-non-6-ene-2-sulfonic acid Formula: C16H25O6PS MolecularWeight: 376.404861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC=CCCCC(C)(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC/C=C/CCCC(C)(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C16H25O6PS/c1-14-10-7-8-12-15(14)11-6-4-3-5-9-13-16(2,23(17,18)19)24(20,21)22/h3-4,7-8,10,12H,5-6,9,11,13H2,1-2H3,(H2,17,18,19)(H,20,21,22)/b4-3+