4-(3-methoxy-2,2-dimethyl-1-oxidanyl-3-oxidanylidene-propyl)benzoic acid

Systemtic Name: 4-(3-methoxy-2,2-dimethyl-1-oxidanyl-3-oxidanylidene-propyl)benzoic acid Openeye Name: 4-(1-hydroxy-3-methoxy-2,2-dimethyl-3-oxo-propyl)benzoic acid CAS Name: 4-(1-hydroxy-3-methoxy-2,2-dimethyl-3-oxopropyl)benzoic acid IUPAC Name: 4-(1-hydroxy-3-methoxy-2,2-dimethyl-3-oxopropyl)benzoic acid Traditional Name: 4-(1-hydroxy-3-keto-3-methoxy-2,2-dimethyl-propyl)benzoic acid Formula: C13H16O5 MolecularWeight: 252.26314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=CC=C(C=C1)C(=O)O)O)C(=O)OC

Isomeric SMILES

CC(C)(C(C1=CC=C(C=C1)C(=O)O)O)C(=O)OC

InChI

InChI=1S/C13H16O5/c1-13(2,12(17)18-3)10(14)8-4-6-9(7-5-8)11(15)16/h4-7,10,14H,1-3H3,(H,15,16)