4-acetyloxy-3-(2-phenylpropan-2-yl)benzoic acid

Systemtic Name: 4-acetyloxy-3-(2-phenylpropan-2-yl)benzoic acid Openeye Name: 4-acetoxy-3-(1-methyl-1-phenyl-ethyl)benzoic acid CAS Name: 4-acetyloxy-3-(2-phenylpropan-2-yl)benzoic acid IUPAC Name: 4-acetyloxy-3-(2-phenylpropan-2-yl)benzoic acid Traditional Name: 4-acetoxy-3-cumyl-benzoic acid Formula: C18H18O4 MolecularWeight: 298.33312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)O)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)O)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C18H18O4/c1-12(19)22-16-10-9-13(17(20)21)11-15(16)18(2,3)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,20,21)