[2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 3-phenylpropanoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanyl-propyl] 3-phenylpropanoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methyl-propyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (3-hydroxy-2-methyl-2-methylol-propyl) ester Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)COC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(CO)(CO)COC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C14H20O4/c1-14(9-15,10-16)11-18-13(17)8-7-12-5-3-2-4-6-12/h2-6,15-16H,7-11H2,1H3