4-(5-methyl-2-propan-2-yl-phenoxy)-4-oxidanylidene-butanoate

Systemtic Name: 4-(5-methyl-2-propan-2-yl-phenoxy)-4-oxidanylidene-butanoate Openeye Name: 4-(2-isopropyl-5-methyl-phenoxy)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-propan-2-ylphenoxy)-4-oxobutanoate IUPAC Name: 4-(5-methyl-2-propan-2-ylphenoxy)-4-oxobutanoate Traditional Name: 4-(2-isopropyl-5-methyl-phenoxy)-4-keto-butyrate Formula: C14H17O4- MolecularWeight: 249.28238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H18O4/c1-9(2)11-5-4-10(3)8-12(11)18-14(17)7-6-13(15)16/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)/p-1