disodium (4R)-4-[[(E)-4-oxidanylidenepent-2-en-2-yl]amino]-4,5-dihydro-1,2-oxazol-3-olate hydrate

Systemtic Name: disodium (4R)-4-[[(E)-4-oxidanylidenepent-2-en-2-yl]amino]-4,5-dihydro-1,2-oxazol-3-olate hydrate Openeye Name: disodium (4R)-4-[[(E)-1-methyl-3-oxo-but-1-enyl]amino]-4,5-dihydroisoxazol-3-olate hydrate CAS Name: disodium (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-4,5-dihydroisoxazol-3-olate hydrate IUPAC Name: disodium (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-4,5-dihydro-1,2-oxazol-3-olate hydrate Traditional Name: disodium (4R)-4-[[(E)-3-keto-1-methyl-but-1-enyl]amino]-2-isoxazolin-3-olate hydrate Formula: C16H24N4Na2O7 MolecularWeight: 430.3639

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)NC1CON=C1[O-].CC(=CC(=O)C)NC1CON=C1[O-].O.[Na+].[Na+]

Isomeric SMILES

C/C(=C\C(=O)C)/N[C@H]1C(=NOC1)[O-].C/C(=C\C(=O)C)/N[C@H]1C(=NOC1)[O-].O.[Na+].[Na+]

InChI

InChI=1S/2C8H12N2O3.2Na.H2O/c2*1-5(3-6(2)11)9-7-4-13-10-8(7)12;;;/h2*3,7,9H,4H2,1-2H3,(H,10,12);;;1H2/q;;2*+1;/p-2/b2*5-3+;;;/t2*7-;;;/m11.../s1