methyl 4-[(1S,2R)-2-(hydroxymethyl)-1-oxidanyl-but-3-enyl]benzoate

Systemtic Name: methyl 4-[(1S,2R)-2-(hydroxymethyl)-1-oxidanyl-but-3-enyl]benzoate Openeye Name: methyl 4-[(1S,2R)-1-hydroxy-2-(hydroxymethyl)but-3-enyl]benzoate CAS Name: 4-[(1S,2R)-1-hydroxy-2-(hydroxymethyl)but-3-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1S,2R)-1-hydroxy-2-(hydroxymethyl)but-3-enyl]benzoate Traditional Name: 4-[(1S,2R)-1-hydroxy-2-methylol-but-3-enyl]benzoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(C(CO)C=C)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@H]([C@@H](CO)C=C)O

InChI

InChI=1S/C13H16O4/c1-3-9(8-14)12(15)10-4-6-11(7-5-10)13(16)17-2/h3-7,9,12,14-15H,1,8H2,2H3/t9-,12+/m1/s1