2-[6-oxidanylidene-3-(trifluoromethyl)-5H-benzo[b][1]benzothiepin-8-yl]propanoic acid

Systemtic Name: 2-[6-oxidanylidene-3-(trifluoromethyl)-5H-benzo[b][1]benzothiepin-8-yl]propanoic acid Openeye Name: 2-[6-oxo-3-(trifluoromethyl)-5H-benzo[b][1]benzothiepin-8-yl]propanoic acid CAS Name: 2-[6-oxo-3-(trifluoromethyl)-5H-benzo[b][1]benzothiepin-8-yl]propanoic acid IUPAC Name: 2-[6-oxo-3-(trifluoromethyl)-5H-benzo[b][1]benzothiepin-8-yl]propanoic acid Traditional Name: 2-[6-keto-3-(trifluoromethyl)-5H-benzo[b][1]benzothiepin-8-yl]propionic acid Formula: C18H13F3O3S MolecularWeight: 366.35423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H13F3O3S/c1-9(17(23)24)10-2-4-16-13(7-10)14(22)8-11-6-12(18(19,20)21)3-5-15(11)25-16/h2-7,9H,8H2,1H3,(H,23,24)