bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-ethoxycarbonylpentan-3-ylphosphonic acid

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-ethoxycarbonylpentan-3-ylphosphonic acid Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; (1-ethoxycarbonyl-1-ethyl-propyl)phosphonic acid CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-ethoxycarbonylpentan-3-ylphosphonic acid IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 3-ethoxycarbonylpentan-3-ylphosphonic acid Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; (1-carbethoxy-1-ethyl-propyl)phosphonic acid Formula: C14H21O5P MolecularWeight: 300.287301

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)OCC)P(=O)(O)O.C1=CC2=C1C=C2

Isomeric SMILES

CCC(CC)(C(=O)OCC)P(=O)(O)O.C1=CC2=C1C=C2

InChI

InChI=1S/C8H17O5P.C6H4/c1-4-8(5-2,14(10,11)12)7(9)13-6-3;1-2-6-4-3-5(1)6/h4-6H2,1-3H3,(H2,10,11,12);1-4H