1,4-bis(oxidanyl)butan-2-yl 3-phenylpropanoate

Systemtic Name: 1,4-bis(oxidanyl)butan-2-yl 3-phenylpropanoate Openeye Name: [3-hydroxy-1-(hydroxymethyl)propyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid 1,4-dihydroxybutan-2-yl ester IUPAC Name: 1,4-dihydroxybutan-2-yl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (3-hydroxy-1-methylol-propyl) ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OC(CCO)CO

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OC(CCO)CO

InChI

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