4-(1,3-benzodioxol-5-yl)oxane-4-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)oxane-4-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)tetrahydropyran-4-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-4-oxanecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)oxane-4-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)tetrahydropyran-4-carboxylic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

C1COCCC1(C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C13H14O5/c14-12(15)13(3-5-16-6-4-13)9-1-2-10-11(7-9)18-8-17-10/h1-2,7H,3-6,8H2,(H,14,15)