2-(1,3-benzodioxol-5-yl)heptanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)heptanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)heptanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)heptanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)heptanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)enanthic acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC2=C(C=C1)OCO2)C(=O)O

Isomeric SMILES

CCCCCC(C1=CC2=C(C=C1)OCO2)C(=O)O

InChI

InChI=1S/C14H18O4/c1-2-3-4-5-11(14(15)16)10-6-7-12-13(8-10)18-9-17-12/h6-8,11H,2-5,9H2,1H3,(H,15,16)