3-[2,5-dimethyl-4-(3-oxidanidyl-3-oxidanylidene-propyl)phenyl]propanoate

Systemtic Name: 3-[2,5-dimethyl-4-(3-oxidanidyl-3-oxidanylidene-propyl)phenyl]propanoate Openeye Name: 3-[2,5-dimethyl-4-(3-oxido-3-oxo-propyl)phenyl]propanoate CAS Name: 3-[2,5-dimethyl-4-(3-oxido-3-oxopropyl)phenyl]propanoate IUPAC Name: 3-[2,5-dimethyl-4-(3-oxido-3-oxopropyl)phenyl]propanoate Traditional Name: 3-[4-(3-keto-3-oxido-propyl)-2,5-dimethyl-phenyl]propionate Formula: C14H16O4-2 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CCC(=O)[O-])C)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1CCC(=O)[O-])C)CCC(=O)[O-]

InChI

InChI=1S/C14H18O4/c1-9-7-12(4-6-14(17)18)10(2)8-11(9)3-5-13(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)/p-2