(E)-8-phenyl-1-phosphono-oct-5-ene-1-sulfonic acid

Systemtic Name: (E)-8-phenyl-1-phosphono-oct-5-ene-1-sulfonic acid Openeye Name: (E)-8-phenyl-1-phosphono-oct-5-ene-1-sulfonic acid CAS Name: (E)-8-phenyl-1-phosphono-5-octene-1-sulfonic acid IUPAC Name: (E)-8-phenyl-1-phosphonooct-5-ene-1-sulfonic acid Traditional Name: (E)-8-phenyl-1-phosphono-oct-5-ene-1-sulfonic acid Formula: C14H21O6PS MolecularWeight: 348.351701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC=CCCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC/C=C/CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C14H21O6PS/c15-21(16,17)14(22(18,19)20)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h1-2,4,6-7,10-11,14H,3,5,8-9,12H2,(H2,15,16,17)(H,18,19,20)/b2-1+