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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=CC=C1OC(CCCOS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

COC(=O)/C=C/C1=CC=CC=C1OC(CCCOS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H17F3O8S/c1-25-14(20)9-8-11-5-2-3-6-12(11)27-13(15(21)22)7-4-10-26-28(23,24)16(17,18)19/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H,21,22)/b9-8+