[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: [(1R)-2-indan-5-yl-1-methyl-2-oxo-ethyl] 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid [(1R)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C20H19ClO5S MolecularWeight: 406.87986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H19ClO5S/c1-12(19(22)15-7-6-13-4-3-5-14(13)10-15)26-20(23)16-8-9-17(21)18(11-16)27(2,24)25/h6-12H,3-5H2,1-2H3/t12-/m1/s1