1-(3H-1,2-benzodioxol-6-yl)propylphosphonic acid

Systemtic Name: 1-(3H-1,2-benzodioxol-6-yl)propylphosphonic acid Openeye Name: 1-(3H-1,2-benzodioxol-6-yl)propylphosphonic acid CAS Name: 1-(3H-1,2-benzodioxol-6-yl)propylphosphonic acid IUPAC Name: 1-(3H-1,2-benzodioxol-6-yl)propylphosphonic acid Traditional Name: 1-(3H-1,2-benzodioxol-6-yl)propylphosphonic acid Formula: C10H13O5P MolecularWeight: 244.180981

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(COO2)C=C1)P(=O)(O)O

Isomeric SMILES

CCC(C1=CC2=C(COO2)C=C1)P(=O)(O)O

InChI

InChI=1S/C10H13O5P/c1-2-10(16(11,12)13)7-3-4-8-6-14-15-9(8)5-7/h3-5,10H,2,6H2,1H3,(H2,11,12,13)