3-[4-(2-tert-butyl-4-ethyl-phenoxy)phenyl]propanoate

Systemtic Name: 3-[4-(2-tert-butyl-4-ethyl-phenoxy)phenyl]propanoate Openeye Name: 3-[4-(2-tert-butyl-4-ethyl-phenoxy)phenyl]propanoate CAS Name: 3-[4-(2-tert-butyl-4-ethylphenoxy)phenyl]propanoate IUPAC Name: 3-[4-(2-tert-butyl-4-ethylphenoxy)phenyl]propanoate Traditional Name: 3-[4-(2-tert-butyl-4-ethyl-phenoxy)phenyl]propionate Formula: C21H25O3- MolecularWeight: 325.4214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC2=CC=C(C=C2)CCC(=O)[O-])C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OC2=CC=C(C=C2)CCC(=O)[O-])C(C)(C)C

InChI

InChI=1S/C21H26O3/c1-5-15-8-12-19(18(14-15)21(2,3)4)24-17-10-6-16(7-11-17)9-13-20(22)23/h6-8,10-12,14H,5,9,13H2,1-4H3,(H,22,23)/p-1