4-(3,3-dimethyl-2-oxidanylidene-butoxy)benzoic acid

Systemtic Name: 4-(3,3-dimethyl-2-oxidanylidene-butoxy)benzoic acid Openeye Name: 4-(3,3-dimethyl-2-oxo-butoxy)benzoic acid CAS Name: 4-(3,3-dimethyl-2-oxobutoxy)benzoic acid IUPAC Name: 4-(3,3-dimethyl-2-oxobutoxy)benzoic acid Traditional Name: 4-(2-keto-3,3-dimethyl-butoxy)benzoic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)COC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H16O4/c1-13(2,3)11(14)8-17-10-6-4-9(5-7-10)12(15)16/h4-7H,8H2,1-3H3,(H,15,16)