5-chloranyl-2-(4-methoxy-4-oxidanylidene-butoxy)benzoic acid

Systemtic Name: 5-chloranyl-2-(4-methoxy-4-oxidanylidene-butoxy)benzoic acid Openeye Name: 5-chloro-2-(4-methoxy-4-oxo-butoxy)benzoic acid CAS Name: 5-chloro-2-(4-methoxy-4-oxobutoxy)benzoic acid IUPAC Name: 5-chloro-2-(4-methoxy-4-oxobutoxy)benzoic acid Traditional Name: 5-chloro-2-(4-keto-4-methoxy-butoxy)benzoic acid Formula: C12H13ClO5 MolecularWeight: 272.68162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=C(C=C(C=C1)Cl)C(=O)O

Isomeric SMILES

COC(=O)CCCOC1=C(C=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C12H13ClO5/c1-17-11(14)3-2-6-18-10-5-4-8(13)7-9(10)12(15)16/h4-5,7H,2-3,6H2,1H3,(H,15,16)