5-(3-methoxyphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: 5-(3-methoxyphenyl)-5-oxidanylidene-pentanoate Openeye Name: 5-(3-methoxyphenyl)-5-oxo-pentanoate CAS Name: 5-(3-methoxyphenyl)-5-oxopentanoate IUPAC Name: 5-(3-methoxyphenyl)-5-oxopentanoate Traditional Name: 5-keto-5-(3-methoxyphenyl)valerate Formula: C12H13O4- MolecularWeight: 221.22922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CCCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C12H14O4/c1-16-10-5-2-4-9(8-10)11(13)6-3-7-12(14)15/h2,4-5,8H,3,6-7H2,1H3,(H,14,15)/p-1