4-(3-bromanylpropoxy)-2-oxidanyl-3-propyl-benzoic acid

Systemtic Name: 4-(3-bromanylpropoxy)-2-oxidanyl-3-propyl-benzoic acid Openeye Name: 4-(3-bromopropoxy)-2-hydroxy-3-propyl-benzoic acid CAS Name: 4-(3-bromopropoxy)-2-hydroxy-3-propylbenzoic acid IUPAC Name: 4-(3-bromopropoxy)-2-hydroxy-3-propylbenzoic acid Traditional Name: 4-(3-bromopropoxy)-2-hydroxy-3-propyl-benzoic acid Formula: C13H17BrO4 MolecularWeight: 317.17568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCBr

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)O)OCCCBr

InChI

InChI=1S/C13H17BrO4/c1-2-4-9-11(18-8-3-7-14)6-5-10(12(9)15)13(16)17/h5-6,15H,2-4,7-8H2,1H3,(H,16,17)