2-chloranyl-4-oxidanyl-4-pentyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 2-chloranyl-4-oxidanyl-4-pentyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-chloro-4-hydroxy-4-pentyl-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-chloro-4-hydroxy-4-pentyl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2-chloro-4-hydroxy-4-pentylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-amyl-2-chloro-4-hydroxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C12H17ClO3 MolecularWeight: 244.71458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(C(=C1)Cl)C(=O)O)O

Isomeric SMILES

CCCCCC1(C=CC(C(=C1)Cl)C(=O)O)O

InChI

InChI=1S/C12H17ClO3/c1-2-3-4-6-12(16)7-5-9(11(14)15)10(13)8-12/h5,7-9,16H,2-4,6H2,1H3,(H,14,15)