[4-(2-methylbutan-2-yl)phenyl] benzoate; phenyl benzoate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] benzoate; phenyl benzoate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] benzoate; phenyl benzoate CAS Name: benzoic acid [4-(2-methylbutan-2-yl)phenyl] ester; benzoic acid phenyl ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] benzoate; phenyl benzoate Traditional Name: benzoic acid (4-tert-amylphenyl) ester; benzoic acid phenyl ester Formula: C31H30O4 MolecularWeight: 466.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C18H20O2.C13H10O2/c1-4-18(2,3)15-10-12-16(13-11-15)20-17(19)14-8-6-5-7-9-14;14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h5-13H,4H2,1-3H3;1-10H