3-(4-chlorophenyl)-2-oxidanylidene-hex-5-ynoic acid

Systemtic Name: 3-(4-chlorophenyl)-2-oxidanylidene-hex-5-ynoic acid Openeye Name: 3-(4-chlorophenyl)-2-oxo-hex-5-ynoic acid CAS Name: 3-(4-chlorophenyl)-2-oxo-5-hexynoic acid IUPAC Name: 3-(4-chlorophenyl)-2-oxohex-5-ynoic acid Traditional Name: 3-(4-chlorophenyl)-2-keto-hex-5-ynoic acid Formula: C12H9ClO3 MolecularWeight: 236.65106

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C1=CC=C(C=C1)Cl)C(=O)C(=O)O

Isomeric SMILES

C#CCC(C1=CC=C(C=C1)Cl)C(=O)C(=O)O

InChI

InChI=1S/C12H9ClO3/c1-2-3-10(11(14)12(15)16)8-4-6-9(13)7-5-8/h1,4-7,10H,3H2,(H,15,16)