3-(4-fluorophenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate

Systemtic Name: 3-(4-fluorophenyl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: 3-(4-fluorophenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 3-(4-fluorophenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylate IUPAC Name: 3-(4-fluorophenyl)-4-hydroxy-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 3-(4-fluorophenyl)-4-hydroxy-7-keto-5,6,8,8a-tetrahydrochromene-2-carboxylate Formula: C16H12FO5- MolecularWeight: 303.261883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=C(OC2CC1=O)C(=O)[O-])C3=CC=C(C=C3)F)O

Isomeric SMILES

C1CC2=C(C(=C(OC2CC1=O)C(=O)[O-])C3=CC=C(C=C3)F)O

InChI

InChI=1S/C16H13FO5/c17-9-3-1-8(2-4-9)13-14(19)11-6-5-10(18)7-12(11)22-15(13)16(20)21/h1-4,12,19H,5-7H2,(H,20,21)/p-1