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

Systemtic Name: 4-[4-chloranyl-5-(1-ethoxy-1-oxidanylidene-propan-2-yl)-2-methyl-phenyl]butanoic acid Openeye Name: 4-[4-chloro-5-(2-ethoxy-1-methyl-2-oxo-ethyl)-2-methyl-phenyl]butanoic acid CAS Name: 4-[4-chloro-5-(1-ethoxy-1-oxopropan-2-yl)-2-methylphenyl]butanoic acid IUPAC Name: 4-[4-chloro-5-(1-ethoxy-1-oxopropan-2-yl)-2-methylphenyl]butanoic acid Traditional Name: 4-[4-chloro-5-(2-ethoxy-2-keto-1-methyl-ethyl)-2-methyl-phenyl]butyric acid Formula: C16H21ClO4 MolecularWeight: 312.78854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClO4/c1-4-21-16(20)11(3)13-9-12(6-5-7-15(18)19)10(2)8-14(13)17/h8-9,11H,4-7H2,1-3H3,(H,18,19)