5-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-methoxy-5-methyl-phenyl)-5-oxo-pentanoic acid CAS Name: 5-(2-methoxy-5-methylphenyl)-5-oxopentanoic acid IUPAC Name: 5-(2-methoxy-5-methylphenyl)-5-oxopentanoic acid Traditional Name: 5-keto-5-(2-methoxy-5-methyl-phenyl)valeric acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCCC(=O)O

InChI

InChI=1S/C13H16O4/c1-9-6-7-12(17-2)10(8-9)11(14)4-3-5-13(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)