1,3-bis(oxidanyl)propan-2-yl 4-phenylbutanoate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl 4-phenylbutanoate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid (2-hydroxy-1-methylol-ethyl) ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)OC(CO)CO

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)OC(CO)CO

InChI

InChI=1S/C13H18O4/c14-9-12(10-15)17-13(16)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12,14-15H,4,7-10H2