[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 3,6-bis(oxidanylidene)cyclohexa-1,4-diene-1-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 3,6-dioxocyclohexa-1,4-diene-1-carboxylate CAS Name: 3,6-dioxo-1-cyclohexa-1,4-dienecarboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3,6-dioxocyclohexa-1,4-diene-1-carboxylate Traditional Name: 3,6-diketocyclohexa-1,4-diene-1-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(=O)C=CC2=O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=O)C=CC2=O)C(C)C

InChI

InChI=1S/C17H22O4/c1-10(2)13-6-4-11(3)8-16(13)21-17(20)14-9-12(18)5-7-15(14)19/h5,7,9-11,13,16H,4,6,8H2,1-3H3/t11-,13+,16-/m1/s1