2-phosphonobutanoic acid; 4-phosphonobutanoic acid

Systemtic Name: 2-phosphonobutanoic acid; 4-phosphonobutanoic acid Openeye Name: 2-phosphonobutanoic acid; 4-phosphonobutanoic acid CAS Name: 2-phosphonobutanoic acid; 4-phosphonobutanoic acid IUPAC Name: 2-phosphonobutanoic acid; 4-phosphonobutanoic acid Traditional Name: 2-phosphonobutyric acid; 4-phosphonobutyric acid Formula: C8H18O10P2 MolecularWeight: 336.170042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)P(=O)(O)O.C(CC(=O)O)CP(=O)(O)O

Isomeric SMILES

CCC(C(=O)O)P(=O)(O)O.C(CC(=O)O)CP(=O)(O)O

InChI

InChI=1S/2C4H9O5P/c1-2-3(4(5)6)10(7,8)9;5-4(6)2-1-3-10(7,8)9/h3H,2H2,1H3,(H,5,6)(H2,7,8,9);1-3H2,(H,5,6)(H2,7,8,9)