tert-butyl (1R,6S)-1-methyl-6-[(2S)-2-oxidanyl-2-(6-oxidanylidenecyclohexen-1-yl)ethyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: tert-butyl (1R,6S)-1-methyl-6-[(2S)-2-oxidanyl-2-(6-oxidanylidenecyclohexen-1-yl)ethyl]cyclohex-3-ene-1-carboxylate Openeye Name: tert-butyl (1R,6S)-6-[(2S)-2-hydroxy-2-(6-oxocyclohexen-1-yl)ethyl]-1-methyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[(2S)-2-hydroxy-2-(6-oxo-1-cyclohexenyl)ethyl]-1-methyl-1-cyclohex-3-enecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1R,6S)-6-[(2S)-2-hydroxy-2-(6-oxocyclohexen-1-yl)ethyl]-1-methylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(2S)-2-hydroxy-2-(6-ketocyclohexen-1-yl)ethyl]-1-methyl-cyclohex-3-ene-1-carboxylic acid tert-butyl ester Formula: C20H30O4 MolecularWeight: 334.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=CCC1CC(C2=CCCCC2=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@]1(CC=CC[C@H]1C[C@@H](C2=CCCCC2=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H30O4/c1-19(2,3)24-18(23)20(4)12-8-7-9-14(20)13-17(22)15-10-5-6-11-16(15)21/h7-8,10,14,17,22H,5-6,9,11-13H2,1-4H3/t14-,17-,20+/m0/s1