tert-butyl (4aR,8aR)-4,7-bis(oxidanylidene)-2-phenyl-8,8a-dihydrochromene-4a-carboxylate

Systemtic Name: tert-butyl (4aR,8aR)-4,7-bis(oxidanylidene)-2-phenyl-8,8a-dihydrochromene-4a-carboxylate Openeye Name: tert-butyl (4aR,8aR)-4,7-dioxo-2-phenyl-8,8a-dihydrochromene-4a-carboxylate CAS Name: (4aR,8aR)-4,7-dioxo-2-phenyl-8,8a-dihydro-1-benzopyran-4a-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4aR,8aR)-4,7-dioxo-2-phenyl-8,8a-dihydrochromene-4a-carboxylate Traditional Name: (4aR,8aR)-4,7-diketo-2-phenyl-8,8a-dihydrochromene-4a-carboxylic acid tert-butyl ester Formula: C20H20O5 MolecularWeight: 340.3698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C12C=CC(=O)CC1OC(=CC2=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@]12C=CC(=O)C[C@H]1OC(=CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20O5/c1-19(2,3)25-18(23)20-10-9-14(21)11-17(20)24-15(12-16(20)22)13-7-5-4-6-8-13/h4-10,12,17H,11H2,1-3H3/t17-,20+/m1/s1