2-ethyl-3-phosphono-butanedioic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: 2-ethyl-3-phosphono-butanedioic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: 2-ethyl-3-phosphono-butanedioic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 2-ethyl-3-phosphonobutanedioic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: 2-ethyl-3-phosphonobutanedioic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 2-ethyl-3-phosphono-succinic acid; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C12H15O8P MolecularWeight: 318.216461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)O)P(=O)(O)O)C(=O)O.C1=CC2=CC(=C1)O2

Isomeric SMILES

CCC(C(C(=O)O)P(=O)(O)O)C(=O)O.C1=CC2=CC(=C1)O2

InChI

InChI=1S/C6H11O7P.C6H4O/c1-2-3(5(7)8)4(6(9)10)14(11,12)13;1-2-5-4-6(3-1)7-5/h3-4H,2H2,1H3,(H,7,8)(H,9,10)(H2,11,12,13);1-4H