methyl (1R,2R)-2-(4-tert-butylcyclohexyl)-1,2-bis(oxidanyl)-3-oxidanylidene-indene-1-carboxylate

Systemtic Name: methyl (1R,2R)-2-(4-tert-butylcyclohexyl)-1,2-bis(oxidanyl)-3-oxidanylidene-indene-1-carboxylate Openeye Name: methyl (1R,2R)-2-(4-tert-butylcyclohexyl)-1,2-dihydroxy-3-oxo-indane-1-carboxylate CAS Name: (1R,2R)-2-(4-tert-butylcyclohexyl)-1,2-dihydroxy-3-oxo-1-indenecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R)-2-(4-tert-butylcyclohexyl)-1,2-dihydroxy-3-oxoindene-1-carboxylate Traditional Name: (1R,2R)-2-(4-tert-butylcyclohexyl)-1,2-dihydroxy-3-keto-indane-1-carboxylic acid methyl ester Formula: C21H28O5 MolecularWeight: 360.44402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C2(C(=O)C3=CC=CC=C3C2(C(=O)OC)O)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)[C@@]2(C(=O)C3=CC=CC=C3[C@@]2(C(=O)OC)O)O

InChI

InChI=1S/C21H28O5/c1-19(2,3)13-9-11-14(12-10-13)20(24)17(22)15-7-5-6-8-16(15)21(20,25)18(23)26-4/h5-8,13-14,24-25H,9-12H2,1-4H3/t13?,14?,20-,21-/m0/s1