[(1S,2R)-1-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanyl-3-(phenylcarbonyloxy)propyl] 3-chloranylbenzoate

Systemtic Name: [(1S,2R)-1-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanyl-3-(phenylcarbonyloxy)propyl] 3-chloranylbenzoate Openeye Name: [(1S,2R)-3-benzoyloxy-1-(4-benzyloxy-3-methoxy-phenyl)-2-hydroxy-propyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [(1S,2R)-3-benzoyloxy-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)propyl] ester IUPAC Name: [(1S,2R)-3-benzoyloxy-2-hydroxy-1-(3-methoxy-4-phenylmethoxyphenyl)propyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [(1S,2R)-1-(4-benzoxy-3-methoxy-phenyl)-3-benzoyloxy-2-hydroxy-propyl] ester Formula: C31H27ClO7 MolecularWeight: 546.99488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(COC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC(=CC=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]([C@@H](COC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC(=CC=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C31H27ClO7/c1-36-28-18-23(15-16-27(28)37-19-21-9-4-2-5-10-21)29(39-31(35)24-13-8-14-25(32)17-24)26(33)20-38-30(34)22-11-6-3-7-12-22/h2-18,26,29,33H,19-20H2,1H3/t26-,29+/m1/s1