tert-butyl (4aS,8aS)-2-(4-methoxyphenyl)-4,7-bis(oxidanylidene)-8,8a-dihydrochromene-4a-carboxylate

Systemtic Name: tert-butyl (4aS,8aS)-2-(4-methoxyphenyl)-4,7-bis(oxidanylidene)-8,8a-dihydrochromene-4a-carboxylate Openeye Name: tert-butyl (4aS,8aS)-2-(4-methoxyphenyl)-4,7-dioxo-8,8a-dihydrochromene-4a-carboxylate CAS Name: (4aS,8aS)-2-(4-methoxyphenyl)-4,7-dioxo-8,8a-dihydro-1-benzopyran-4a-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4aS,8aS)-2-(4-methoxyphenyl)-4,7-dioxo-8,8a-dihydrochromene-4a-carboxylate Traditional Name: (4aS,8aS)-4,7-diketo-2-(4-methoxyphenyl)-8,8a-dihydrochromene-4a-carboxylic acid tert-butyl ester Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O6/c1-20(2,3)27-19(24)21-10-9-14(22)11-18(21)26-16(12-17(21)23)13-5-7-15(25-4)8-6-13/h5-10,12,18H,11H2,1-4H3/t18-,21+/m0/s1