4-(1-chloranyl-2-oxidanyl-2-oxidanylidene-ethyl)-3-propyl-benzoic acid

Systemtic Name: 4-(1-chloranyl-2-oxidanyl-2-oxidanylidene-ethyl)-3-propyl-benzoic acid Openeye Name: 4-(1-chloro-2-hydroxy-2-oxo-ethyl)-3-propyl-benzoic acid CAS Name: 4-(1-chloro-2-hydroxy-2-oxoethyl)-3-propylbenzoic acid IUPAC Name: 4-(1-chloro-2-hydroxy-2-oxoethyl)-3-propylbenzoic acid Traditional Name: 4-(1-chloro-2-hydroxy-2-keto-ethyl)-3-propyl-benzoic acid Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)O)C(C(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)C(C(=O)O)Cl

InChI

InChI=1S/C12H13ClO4/c1-2-3-7-6-8(11(14)15)4-5-9(7)10(13)12(16)17/h4-6,10H,2-3H2,1H3,(H,14,15)(H,16,17)