[3-methyl-3,4-bis(oxidanyl)butyl] 3-phenylpropanoate

Systemtic Name: [3-methyl-3,4-bis(oxidanyl)butyl] 3-phenylpropanoate Openeye Name: (3,4-dihydroxy-3-methyl-butyl) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (3,4-dihydroxy-3-methylbutyl) ester IUPAC Name: (3,4-dihydroxy-3-methylbutyl) 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid (3,4-dihydroxy-3-methyl-butyl) ester Formula: C14H20O4 MolecularWeight: 252.3062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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