sodium [(E)-3-methyl-4-oxidanyl-but-2-enyl] phosphono hydrogen phosphate

Systemtic Name: sodium [(E)-3-methyl-4-oxidanyl-but-2-enyl] phosphono hydrogen phosphate Openeye Name: sodium [(E)-4-hydroxy-3-methyl-but-2-enyl] phosphono hydrogen phosphate CAS Name: sodium [(E)-4-hydroxy-3-methylbut-2-enyl] phosphono hydrogen phosphate IUPAC Name: sodium [(E)-4-hydroxy-3-methylbut-2-enyl] phosphono hydrogen phosphate Traditional Name: sodium [(E)-4-hydroxy-3-methyl-but-2-enyl] phosphono hydrogen phosphate Formula: C5H12NaO8P2+ MolecularWeight: 285.081272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOP(=O)(O)OP(=O)(O)O)CO.[Na+]

Isomeric SMILES

C/C(=C\COP(=O)(O)OP(=O)(O)O)/CO.[Na+]

InChI

InChI=1S/C5H12O8P2.Na/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9;/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9);/q;+1/b5-2+;