[2-(hydroxymethyl)-2,3-dimethyl-3-oxidanyl-butyl] 3-phenylpropanoate

Systemtic Name: [2-(hydroxymethyl)-2,3-dimethyl-3-oxidanyl-butyl] 3-phenylpropanoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2,3-dimethyl-butyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [3-hydroxy-2-(hydroxymethyl)-2,3-dimethylbutyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2,3-dimethylbutyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (3-hydroxy-2,3-dimethyl-2-methylol-butyl) ester Formula: C16H24O4 MolecularWeight: 280.35936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O4/c1-15(2,19)16(3,11-17)12-20-14(18)10-9-13-7-5-4-6-8-13/h4-8,17,19H,9-12H2,1-3H3