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

Systemtic Name: [(2R,3R,4S)-3-methanoyloxy-1-(4-methylphenoxy)-5-oxidanylidene-4-phenylmethoxy-pentan-2-yl] 4-chloranylbenzoate Openeye Name: [(1R,2R,3S)-3-benzyloxy-2-formyloxy-1-[(4-methylphenoxy)methyl]-4-oxo-butyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2R,3R,4S)-3-formyloxy-1-(4-methylphenoxy)-5-oxo-4-phenylmethoxypentan-2-yl] ester IUPAC Name: [(2R,3R,4S)-3-formyloxy-1-(4-methylphenoxy)-5-oxo-4-phenylmethoxypentan-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1R,2R,3S)-3-benzoxy-2-formyloxy-4-keto-1-[(4-methylphenoxy)methyl]butyl] ester Formula: C27H25ClO7 MolecularWeight: 496.9362

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H25ClO7/c1-19-7-13-23(14-8-19)32-17-25(35-27(31)21-9-11-22(28)12-10-21)26(34-18-30)24(15-29)33-16-20-5-3-2-4-6-20/h2-15,18,24-26H,16-17H2,1H3/t24-,25-,26+/m1/s1