5-chloranyl-3-(2-methylheptan-2-yl)-2-oxidanyl-benzoic acid

Systemtic Name: 5-chloranyl-3-(2-methylheptan-2-yl)-2-oxidanyl-benzoic acid Openeye Name: 5-chloro-3-(1,1-dimethylhexyl)-2-hydroxy-benzoic acid CAS Name: 5-chloro-2-hydroxy-3-(2-methylheptan-2-yl)benzoic acid IUPAC Name: 5-chloro-2-hydroxy-3-(2-methylheptan-2-yl)benzoic acid Traditional Name: 5-chloro-3-(1,1-dimethylhexyl)-2-hydroxy-benzoic acid Formula: C15H21ClO3 MolecularWeight: 284.77844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClO3/c1-4-5-6-7-15(2,3)12-9-10(16)8-11(13(12)17)14(18)19/h8-9,17H,4-7H2,1-3H3,(H,18,19)