6-oxidanyl-2-propan-2-yloxy-hex-4-ynoic acid; 3-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene

Systemtic Name: 6-oxidanyl-2-propan-2-yloxy-hex-4-ynoic acid; 3-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene Openeye Name: 6-hydroxy-2-isopropoxy-hex-4-ynoic acid; 3-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene CAS Name: 6-hydroxy-2-propan-2-yloxy-4-hexynoic acid; 3-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene IUPAC Name: 6-hydroxy-2-propan-2-yloxyhex-4-ynoic acid; 3-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene Traditional Name: 6-hydroxy-2-isopropoxy-hex-4-ynoic acid; 3-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene Formula: C16H17F3O4 MolecularWeight: 330.29899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CC#CCO)C(=O)O.C1=CC2=C(C=C21)C(F)(F)F

Isomeric SMILES

CC(C)OC(CC#CCO)C(=O)O.C1=CC2=C(C=C21)C(F)(F)F

InChI

InChI=1S/C9H14O4.C7H3F3/c1-7(2)13-8(9(11)12)5-3-4-6-10;8-7(9,10)6-3-4-1-2-5(4)6/h7-8,10H,5-6H2,1-2H3,(H,11,12);1-3H