[(2R,3R,4R)-2-(4-chlorophenyl)carbonyloxy-4-methyl-3-oxidanyl-5-oxidanylidene-4-phenylmethoxy-pentyl] 4-chloranylbenzoate

Systemtic Name: [(2R,3R,4R)-2-(4-chlorophenyl)carbonyloxy-4-methyl-3-oxidanyl-5-oxidanylidene-4-phenylmethoxy-pentyl] 4-chloranylbenzoate Openeye Name: [(2R,3R,4R)-4-benzyloxy-2-(4-chlorobenzoyl)oxy-3-hydroxy-4-methyl-5-oxo-pentyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2R,3R,4R)-2-[(4-chlorophenyl)-oxomethoxy]-3-hydroxy-4-methyl-5-oxo-4-phenylmethoxypentyl] ester IUPAC Name: [(2R,3R,4R)-2-(4-chlorobenzoyl)oxy-3-hydroxy-4-methyl-5-oxo-4-phenylmethoxypentyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(2R,3R,4R)-4-benzoxy-2-(4-chlorobenzoyl)oxy-3-hydroxy-5-keto-4-methyl-pentyl] ester Formula: C27H24Cl2O7 MolecularWeight: 531.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)(C(C(COC(=O)C1=CC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)Cl)O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@](C=O)([C@@H]([C@@H](COC(=O)C1=CC=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)Cl)O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H24Cl2O7/c1-27(17-30,35-15-18-5-3-2-4-6-18)24(31)23(36-26(33)20-9-13-22(29)14-10-20)16-34-25(32)19-7-11-21(28)12-8-19/h2-14,17,23-24,31H,15-16H2,1H3/t23-,24-,27+/m1/s1