2-(1-oxidanylbutyl)-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 2-(1-oxidanylbutyl)-1,4-benzodioxine-3-carboxylic acid Openeye Name: 2-(1-hydroxybutyl)-1,4-benzodioxine-3-carboxylic acid CAS Name: 2-(1-hydroxybutyl)-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 2-(1-hydroxybutyl)-1,4-benzodioxine-3-carboxylic acid Traditional Name: 2-(1-hydroxybutyl)-1,4-benzodioxin-3-carboxylic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(OC2=CC=CC=C2O1)C(=O)O)O

Isomeric SMILES

CCCC(C1=C(OC2=CC=CC=C2O1)C(=O)O)O

InChI

InChI=1S/C13H14O5/c1-2-5-8(14)11-12(13(15)16)18-10-7-4-3-6-9(10)17-11/h3-4,6-8,14H,2,5H2,1H3,(H,15,16)