[(1S,3S)-2-(hydroxymethyl)-2-oxidanyl-3-(phenylcarbonyloxymethyl)cyclopropyl]methyl benzoate

Systemtic Name: [(1S,3S)-2-(hydroxymethyl)-2-oxidanyl-3-(phenylcarbonyloxymethyl)cyclopropyl]methyl benzoate Openeye Name: [(1S,3S)-3-(benzoyloxymethyl)-2-hydroxy-2-(hydroxymethyl)cyclopropyl]methyl benzoate CAS Name: benzoic acid [(1S,3S)-3-(benzoyloxymethyl)-2-hydroxy-2-(hydroxymethyl)cyclopropyl]methyl ester IUPAC Name: [(1S,3S)-3-(benzoyloxymethyl)-2-hydroxy-2-(hydroxymethyl)cyclopropyl]methyl benzoate Traditional Name: benzoic acid [(1S,3S)-3-(benzoyloxymethyl)-2-hydroxy-2-methylol-cyclopropyl]methyl ester Formula: C20H20O6 MolecularWeight: 356.3692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C2(CO)O)COC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C2(CO)O)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20O6/c21-13-20(24)16(11-25-18(22)14-7-3-1-4-8-14)17(20)12-26-19(23)15-9-5-2-6-10-15/h1-10,16-17,21,24H,11-13H2/t16-,17-/m1/s1