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

Systemtic Name: methyl (1R,2S)-2-[(4-tert-butylcyclohexyl)methyl]-1,2-bis(oxidanyl)-3-oxidanylidene-indene-1-carboxylate Openeye Name: methyl (1R,2S)-2-[(4-tert-butylcyclohexyl)methyl]-1,2-dihydroxy-3-oxo-indane-1-carboxylate CAS Name: (1R,2S)-2-[(4-tert-butylcyclohexyl)methyl]-1,2-dihydroxy-3-oxo-1-indenecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-[(4-tert-butylcyclohexyl)methyl]-1,2-dihydroxy-3-oxoindene-1-carboxylate Traditional Name: (1R,2S)-2-[(4-tert-butylcyclohexyl)methyl]-1,2-dihydroxy-3-keto-indane-1-carboxylic acid methyl ester Formula: C22H30O5 MolecularWeight: 374.4706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)CC2(C(=O)C3=CC=CC=C3C2(C(=O)OC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H30O5/c1-20(2,3)15-11-9-14(10-12-15)13-21(25)18(23)16-7-5-6-8-17(16)22(21,26)19(24)27-4/h5-8,14-15,25-26H,9-13H2,1-4H3/t14?,15?,21-,22+/m1/s1