[(1S,2S)-1-(3,4-dimethoxyphenyl)-3-methoxy-2-oxidanyl-3-oxidanylidene-propyl] 3-chloranylbenzoate

Systemtic Name: [(1S,2S)-1-(3,4-dimethoxyphenyl)-3-methoxy-2-oxidanyl-3-oxidanylidene-propyl] 3-chloranylbenzoate Openeye Name: [(1S,2S)-1-(3,4-dimethoxyphenyl)-2-hydroxy-3-methoxy-3-oxo-propyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(1S,2S)-1-(3,4-dimethoxyphenyl)-2-hydroxy-3-methoxy-3-oxopropyl] ester IUPAC Name: [(1S,2S)-1-(3,4-dimethoxyphenyl)-2-hydroxy-3-methoxy-3-oxopropyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(1S,2S)-1-(3,4-dimethoxyphenyl)-2-hydroxy-3-keto-3-methoxy-propyl] ester Formula: C19H19ClO7 MolecularWeight: 394.80296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(C(=O)OC)O)OC(=O)C2=CC(=CC=C2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]([C@@H](C(=O)OC)O)OC(=O)C2=CC(=CC=C2)Cl)OC

InChI

InChI=1S/C19H19ClO7/c1-24-14-8-7-11(10-15(14)25-2)17(16(21)19(23)26-3)27-18(22)12-5-4-6-13(20)9-12/h4-10,16-17,21H,1-3H3/t16-,17-/m0/s1