[(1S,2S,3S,4R)-4-(4-bromophenyl)carbonyloxy-3-chloranyl-2-methylsulfanyl-cyclopentyl] 4-bromanylbenzoate

Systemtic Name: [(1S,2S,3S,4R)-4-(4-bromophenyl)carbonyloxy-3-chloranyl-2-methylsulfanyl-cyclopentyl] 4-bromanylbenzoate Openeye Name: [(1S,2S,3S,4R)-4-(4-bromobenzoyl)oxy-3-chloro-2-methylsulfanyl-cyclopentyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1S,2S,3S,4R)-4-[(4-bromophenyl)-oxomethoxy]-3-chloro-2-(methylthio)cyclopentyl] ester IUPAC Name: [(1S,2S,3S,4R)-4-(4-bromobenzoyl)oxy-3-chloro-2-methylsulfanylcyclopentyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S,2S,3S,4R)-4-(4-bromobenzoyl)oxy-3-chloro-2-(methylthio)cyclopentyl] ester Formula: C20H17Br2ClO4S MolecularWeight: 548.67258

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C(CC(C1Cl)OC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CS[C@H]1[C@H](C[C@H]([C@@H]1Cl)OC(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17Br2ClO4S/c1-28-18-16(27-20(25)12-4-8-14(22)9-5-12)10-15(17(18)23)26-19(24)11-2-6-13(21)7-3-11/h2-9,15-18H,10H2,1H3/t15-,16+,17+,18+/m1/s1