[4-methyl-1,4-bis(oxidanyl)pentan-3-yl] 3-phenylpropanoate

Systemtic Name: [4-methyl-1,4-bis(oxidanyl)pentan-3-yl] 3-phenylpropanoate Openeye Name: [2-hydroxy-1-(2-hydroxyethyl)-2-methyl-propyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (1,4-dihydroxy-4-methylpentan-3-yl) ester IUPAC Name: (1,4-dihydroxy-4-methylpentan-3-yl) 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-hydroxy-1-(2-hydroxyethyl)-2-methyl-propyl] ester Formula: C15H22O4 MolecularWeight: 266.33278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CCO)OC(=O)CCC1=CC=CC=C1)O

Isomeric SMILES

CC(C)(C(CCO)OC(=O)CCC1=CC=CC=C1)O

InChI

InChI=1S/C15H22O4/c1-15(2,18)13(10-11-16)19-14(17)9-8-12-6-4-3-5-7-12/h3-7,13,16,18H,8-11H2,1-2H3