4-[[4-bromanyl-2-(1-oxidanylbutyl)phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-bromanyl-2-(1-oxidanylbutyl)phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-bromo-2-(1-hydroxybutyl)phenoxy]methyl]benzoic acid CAS Name: 4-[[4-bromo-2-(1-hydroxybutyl)phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-bromo-2-(1-hydroxybutyl)phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-bromo-2-(1-hydroxybutyl)phenoxy]methyl]benzoic acid Formula: C18H19BrO4 MolecularWeight: 379.24506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CC(=C1)Br)OCC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CCCC(C1=C(C=CC(=C1)Br)OCC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C18H19BrO4/c1-2-3-16(20)15-10-14(19)8-9-17(15)23-11-12-4-6-13(7-5-12)18(21)22/h4-10,16,20H,2-3,11H2,1H3,(H,21,22)