[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-chloranyl-3-oxidanylidene-1H-indene-2-carboxylate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-chloranyl-3-oxidanylidene-1H-indene-2-carboxylate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-chloro-1-oxo-indane-2-carboxylate CAS Name: 2-chloro-3-oxo-1H-indene-2-carboxylic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-chloro-3-oxo-1H-indene-2-carboxylate Traditional Name: 2-chloro-1-keto-indane-2-carboxylic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H25ClO3 MolecularWeight: 348.8637

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2(CC3=CC=CC=C3C2=O)Cl)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2(CC3=CC=CC=C3C2=O)Cl)C(C)C

InChI

InChI=1S/C20H25ClO3/c1-12(2)15-9-8-13(3)10-17(15)24-19(23)20(21)11-14-6-4-5-7-16(14)18(20)22/h4-7,12-13,15,17H,8-11H2,1-3H3/t13-,15+,17-,20?/m1/s1