tert-butyl (2R)-6-chloranyl-3-oxidanylidene-2-[(E)-5-oxidanylidenehex-2-enyl]-1H-indene-2-carboxylate

Systemtic Name: tert-butyl (2R)-6-chloranyl-3-oxidanylidene-2-[(E)-5-oxidanylidenehex-2-enyl]-1H-indene-2-carboxylate Openeye Name: tert-butyl (2R)-5-chloro-1-oxo-2-[(E)-5-oxohex-2-enyl]indane-2-carboxylate CAS Name: (2R)-6-chloro-3-oxo-2-[(E)-5-oxohex-2-enyl]-1H-indene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-6-chloro-3-oxo-2-[(E)-5-oxohex-2-enyl]-1H-indene-2-carboxylate Traditional Name: (2R)-5-chloro-1-keto-2-[(E)-5-ketohex-2-enyl]indane-2-carboxylic acid tert-butyl ester Formula: C20H23ClO4 MolecularWeight: 362.84722

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC=CCC1(CC2=C(C1=O)C=CC(=C2)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClO4/c1-13(22)7-5-6-10-20(18(24)25-19(2,3)4)12-14-11-15(21)8-9-16(14)17(20)23/h5-6,8-9,11H,7,10,12H2,1-4H3/b6-5+/t20-/m1/s1