4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]benzoic acid

Systemtic Name: 4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]benzoic acid Openeye Name: 4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]benzoic acid CAS Name: 4-[4-(2-chloro-3-methyl-1-oxobutoxy)phenyl]benzoic acid IUPAC Name: 4-[4-(2-chloro-3-methylbutanoyl)oxyphenyl]benzoic acid Traditional Name: 4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]benzoic acid Formula: C18H17ClO4 MolecularWeight: 332.77818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C18H17ClO4/c1-11(2)16(19)18(22)23-15-9-7-13(8-10-15)12-3-5-14(6-4-12)17(20)21/h3-11,16H,1-2H3,(H,20,21)