2,6-ditert-butylphenol; ethyl 3-phenylpropanoate

Systemtic Name: 2,6-ditert-butylphenol; ethyl 3-phenylpropanoate Openeye Name: 2,6-ditert-butylphenol; ethyl 3-phenylpropanoate CAS Name: 2,6-ditert-butylphenol; 3-phenylpropanoic acid ethyl ester IUPAC Name: 2,6-ditert-butylphenol; ethyl 3-phenylpropanoate Traditional Name: 2,6-ditert-butylphenol; 3-phenylpropionic acid ethyl ester Formula: C25H36O3 MolecularWeight: 384.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=CC=C1.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O

Isomeric SMILES

CCOC(=O)CCC1=CC=CC=C1.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O

InChI

InChI=1S/C14H22O.C11H14O2/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-2-13-11(12)9-8-10-6-4-3-5-7-10/h7-9,15H,1-6H3;3-7H,2,8-9H2,1H3