[(2R,3R,4S)-1-(4-methylphenoxy)-3-oxidanyl-5-oxidanylidene-4-phenylmethoxy-pentan-2-yl] 4-chloranylbenzoate

Systemtic Name: [(2R,3R,4S)-1-(4-methylphenoxy)-3-oxidanyl-5-oxidanylidene-4-phenylmethoxy-pentan-2-yl] 4-chloranylbenzoate Openeye Name: [(1R,2R,3S)-3-benzyloxy-2-hydroxy-1-[(4-methylphenoxy)methyl]-4-oxo-butyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2R,3R,4S)-3-hydroxy-1-(4-methylphenoxy)-5-oxo-4-phenylmethoxypentan-2-yl] ester IUPAC Name: [(2R,3R,4S)-3-hydroxy-1-(4-methylphenoxy)-5-oxo-4-phenylmethoxypentan-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1R,2R,3S)-3-benzoxy-2-hydroxy-4-keto-1-[(4-methylphenoxy)methyl]butyl] ester Formula: C26H25ClO6 MolecularWeight: 468.9261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C(C(C=O)OCC2=CC=CC=C2)O)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H]([C@H]([C@@H](C=O)OCC2=CC=CC=C2)O)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H25ClO6/c1-18-7-13-22(14-8-18)31-17-24(33-26(30)20-9-11-21(27)12-10-20)25(29)23(15-28)32-16-19-5-3-2-4-6-19/h2-15,23-25,29H,16-17H2,1H3/t23-,24-,25+/m1/s1