3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-benzoic acid

Systemtic Name: 3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-benzoic acid Openeye Name: 3-(3-ethoxy-3-oxo-propyl)-4-methyl-benzoic acid CAS Name: 3-(3-ethoxy-3-oxopropyl)-4-methylbenzoic acid IUPAC Name: 3-(3-ethoxy-3-oxopropyl)-4-methylbenzoic acid Traditional Name: 3-(3-ethoxy-3-keto-propyl)-4-methyl-benzoic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CCOC(=O)CCC1=C(C=CC(=C1)C(=O)O)C

InChI

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