4-[4-chloranyl-5-(1-ethoxy-1-oxidanylidene-propan-2-yl)-2-methyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-chloranyl-5-(1-ethoxy-1-oxidanylidene-propan-2-yl)-2-methyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-chloro-5-(2-ethoxy-1-methyl-2-oxo-ethyl)-2-methyl-phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-chloro-5-(1-ethoxy-1-oxopropan-2-yl)-2-methylphenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-chloro-5-(1-ethoxy-1-oxopropan-2-yl)-2-methylphenyl]-4-oxobutanoic acid Traditional Name: 4-[4-chloro-5-(2-ethoxy-2-keto-1-methyl-ethyl)-2-methyl-phenyl]-4-keto-butyric acid Formula: C16H19ClO5 MolecularWeight: 326.77206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C1=C(C=C(C(=C1)C(=O)CCC(=O)O)C)Cl

Isomeric SMILES

CCOC(=O)C(C)C1=C(C=C(C(=C1)C(=O)CCC(=O)O)C)Cl

InChI

InChI=1S/C16H19ClO5/c1-4-22-16(21)10(3)12-8-11(9(2)7-13(12)17)14(18)5-6-15(19)20/h7-8,10H,4-6H2,1-3H3,(H,19,20)