2-(6-propyl-1,3-benzodioxol-5-yl)ethanoic acid

Systemtic Name: 2-(6-propyl-1,3-benzodioxol-5-yl)ethanoic acid Openeye Name: 2-(6-propyl-1,3-benzodioxol-5-yl)acetic acid CAS Name: 2-(6-propyl-1,3-benzodioxol-5-yl)acetic acid IUPAC Name: 2-(6-propyl-1,3-benzodioxol-5-yl)acetic acid Traditional Name: 2-(6-propyl-1,3-benzodioxol-5-yl)acetic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1CC(=O)O)OCO2

Isomeric SMILES

CCCC1=CC2=C(C=C1CC(=O)O)OCO2

InChI

InChI=1S/C12H14O4/c1-2-3-8-4-10-11(16-7-15-10)5-9(8)6-12(13)14/h4-5H,2-3,6-7H2,1H3,(H,13,14)