5-[2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-(trifluoromethylsulfonyloxy)phenoxy]pentanoic acid

Systemtic Name: 5-[2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-3-(trifluoromethylsulfonyloxy)phenoxy]pentanoic acid Openeye Name: 5-[2-[(E)-3-methoxy-3-oxo-prop-1-enyl]-3-(trifluoromethylsulfonyloxy)phenoxy]pentanoic acid CAS Name: 5-[2-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-(trifluoromethylsulfonyloxy)phenoxy]pentanoic acid IUPAC Name: 5-[2-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-(trifluoromethylsulfonyloxy)phenoxy]pentanoic acid Traditional Name: 5-[2-[(E)-3-keto-3-methoxy-prop-1-enyl]-3-triflyloxy-phenoxy]valeric acid Formula: C16H17F3O8S MolecularWeight: 426.36159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)OCCCCC(=O)O

Isomeric SMILES

COC(=O)/C=C/C1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)OCCCCC(=O)O

InChI

InChI=1S/C16H17F3O8S/c1-25-15(22)9-8-11-12(26-10-3-2-7-14(20)21)5-4-6-13(11)27-28(23,24)16(17,18)19/h4-6,8-9H,2-3,7,10H2,1H3,(H,20,21)/b9-8+