2-acetyloxybenzoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: 2-acetyloxybenzoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: 2-acetoxybenzoic acid; 2-(4-isobutylphenyl)propanoic acid CAS Name: 2-acetyloxybenzoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: 2-acetyloxybenzoic acid; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 2-acetoxybenzoic acid; 2-(4-isobutylphenyl)propionic acid Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H18O2.C9H8O4/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h4-7,9-10H,8H2,1-3H3,(H,14,15);2-5H,1H3,(H,11,12)