4-(2-chloranyl-2-methyl-3-oxidanylidene-propyl)benzoic acid

Systemtic Name: 4-(2-chloranyl-2-methyl-3-oxidanylidene-propyl)benzoic acid Openeye Name: 4-(2-chloro-2-methyl-3-oxo-propyl)benzoic acid CAS Name: 4-(2-chloro-2-methyl-3-oxopropyl)benzoic acid IUPAC Name: 4-(2-chloro-2-methyl-3-oxopropyl)benzoic acid Traditional Name: 4-(2-chloro-3-keto-2-methyl-propyl)benzoic acid Formula: C11H11ClO3 MolecularWeight: 226.65624

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=O)O)(C=O)Cl

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(=O)O)(C=O)Cl

InChI

InChI=1S/C11H11ClO3/c1-11(12,7-13)6-8-2-4-9(5-3-8)10(14)15/h2-5,7H,6H2,1H3,(H,14,15)