4-(2-chloranyl-3-methyl-butanoyl)oxybenzoic acid

Systemtic Name: 4-(2-chloranyl-3-methyl-butanoyl)oxybenzoic acid Openeye Name: 4-(2-chloro-3-methyl-butanoyl)oxybenzoic acid CAS Name: 4-(2-chloro-3-methyl-1-oxobutoxy)benzoic acid IUPAC Name: 4-(2-chloro-3-methylbutanoyl)oxybenzoic acid Traditional Name: 4-(2-chloro-3-methyl-butanoyl)oxybenzoic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)C(=O)O)Cl

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)C(=O)O)Cl

InChI

InChI=1S/C12H13ClO4/c1-7(2)10(13)12(16)17-9-5-3-8(4-6-9)11(14)15/h3-7,10H,1-2H3,(H,14,15)