3,4-diethyl-5-phosphono-furan-2-carboxylic acid

Systemtic Name: 3,4-diethyl-5-phosphono-furan-2-carboxylic acid Openeye Name: 3,4-diethyl-5-phosphono-furan-2-carboxylic acid CAS Name: 3,4-diethyl-5-phosphono-2-furancarboxylic acid IUPAC Name: 3,4-diethyl-5-phosphonofuran-2-carboxylic acid Traditional Name: 3,4-diethyl-5-phosphono-2-furoic acid Formula: C9H13O6P MolecularWeight: 248.169681

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C1CC)P(=O)(O)O)C(=O)O

Isomeric SMILES

CCC1=C(OC(=C1CC)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C9H13O6P/c1-3-5-6(4-2)9(16(12,13)14)15-7(5)8(10)11/h3-4H2,1-2H3,(H,10,11)(H2,12,13,14)