tert-butyl 3a-oxidanyl-2-oxidanylidene-3H-cyclopenta[l]phenanthrene-1-carboxylate

Systemtic Name: tert-butyl 3a-oxidanyl-2-oxidanylidene-3H-cyclopenta[l]phenanthrene-1-carboxylate Openeye Name: tert-butyl 3a-hydroxy-2-oxo-3H-cyclopenta[l]phenanthrene-1-carboxylate CAS Name: 3a-hydroxy-2-oxo-3H-cyclopenta[l]phenanthrene-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3a-hydroxy-2-oxo-3H-cyclopenta[l]phenanthrene-1-carboxylate Traditional Name: 3a-hydroxy-2-keto-3H-cyclopenta[l]phenanthrene-1-carboxylic acid tert-butyl ester Formula: C22H20O4 MolecularWeight: 348.3918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C2C3=CC=CC=C3C4=CC=CC=C4C2(CC1=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C2C3=CC=CC=C3C4=CC=CC=C4C2(CC1=O)O

InChI

InChI=1S/C22H20O4/c1-21(2,3)26-20(24)18-17(23)12-22(25)16-11-7-6-9-14(16)13-8-4-5-10-15(13)19(18)22/h4-11,25H,12H2,1-3H3