3-(4-tert-butylphenyl)-5-methoxy-4-propoxy-benzoate

Systemtic Name: 3-(4-tert-butylphenyl)-5-methoxy-4-propoxy-benzoate Openeye Name: 3-(4-tert-butylphenyl)-5-methoxy-4-propoxy-benzoate CAS Name: 3-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzoate IUPAC Name: 3-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzoate Traditional Name: 3-(4-tert-butylphenyl)-5-methoxy-4-propoxy-benzoate Formula: C21H25O4- MolecularWeight: 341.4208

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C2=CC=C(C=C2)C(C)(C)C)C(=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1C2=CC=C(C=C2)C(C)(C)C)C(=O)[O-])OC

InChI

InChI=1S/C21H26O4/c1-6-11-25-19-17(12-15(20(22)23)13-18(19)24-5)14-7-9-16(10-8-14)21(2,3)4/h7-10,12-13H,6,11H2,1-5H3,(H,22,23)/p-1