3-(methoxymethyl)-5-(2-oxidanylidenepropyl)benzoic acid

Systemtic Name: 3-(methoxymethyl)-5-(2-oxidanylidenepropyl)benzoic acid Openeye Name: 3-acetonyl-5-(methoxymethyl)benzoic acid CAS Name: 3-(methoxymethyl)-5-(2-oxopropyl)benzoic acid IUPAC Name: 3-(methoxymethyl)-5-(2-oxopropyl)benzoic acid Traditional Name: 3-acetonyl-5-(methoxymethyl)benzoic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=CC(=CC(=C1)C(=O)O)COC

Isomeric SMILES

CC(=O)CC1=CC(=CC(=C1)C(=O)O)COC

InChI

InChI=1S/C12H14O4/c1-8(13)3-9-4-10(7-16-2)6-11(5-9)12(14)15/h4-6H,3,7H2,1-2H3,(H,14,15)