(Z)-6-methyl-1-phosphono-8-[3-(trifluoromethyl)phenyl]oct-5-ene-1-sulfonic acid

Systemtic Name: (Z)-6-methyl-1-phosphono-8-[3-(trifluoromethyl)phenyl]oct-5-ene-1-sulfonic acid Openeye Name: (Z)-6-methyl-1-phosphono-8-[3-(trifluoromethyl)phenyl]oct-5-ene-1-sulfonic acid CAS Name: (Z)-6-methyl-1-phosphono-8-[3-(trifluoromethyl)phenyl]-5-octene-1-sulfonic acid IUPAC Name: (Z)-6-methyl-1-phosphono-8-[3-(trifluoromethyl)phenyl]oct-5-ene-1-sulfonic acid Traditional Name: (Z)-6-methyl-1-phosphono-8-[3-(trifluoromethyl)phenyl]oct-5-ene-1-sulfonic acid Formula: C16H22F3O6PS MolecularWeight: 430.376251

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCC(P(=O)(O)O)S(=O)(=O)O)CCC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

C/C(=C/CCCC(P(=O)(O)O)S(=O)(=O)O)/CCC1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C16H22F3O6PS/c1-12(5-2-3-8-15(26(20,21)22)27(23,24)25)9-10-13-6-4-7-14(11-13)16(17,18)19/h4-7,11,15H,2-3,8-10H2,1H3,(H2,20,21,22)(H,23,24,25)/b12-5-