disodium [(E)-4-methyl-5-oxidanyl-pent-3-enyl]-[oxidanidyl(oxidanyl)phosphoryl]oxy-phosphinate hydrate

Systemtic Name: disodium [(E)-4-methyl-5-oxidanyl-pent-3-enyl]-[oxidanidyl(oxidanyl)phosphoryl]oxy-phosphinate hydrate Openeye Name: disodium [(E)-5-hydroxy-4-methyl-pent-3-enyl]-[hydroxy(oxido)phosphoryl]oxy-phosphinate hydrate CAS Name: disodium [(E)-5-hydroxy-4-methylpent-3-enyl]-[hydroxy(oxido)phosphoryl]oxyphosphinate hydrate IUPAC Name: disodium [(E)-5-hydroxy-4-methylpent-3-enyl]-[hydroxy(oxido)phosphoryl]oxyphosphinate hydrate Traditional Name: disodium [(E)-5-hydroxy-4-methyl-pent-3-enyl]-[hydroxy(oxido)phosphoryl]oxy-phosphinate hydrate Formula: C6H14Na2O8P2 MolecularWeight: 322.097622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O7P2.2Na.H2O/c1-6(5-7)3-2-4-14(8,9)13-15(10,11)12;;;/h3,7H,2,4-5H2,1H3,(H,8,9)(H2,10,11,12);;;1H2/q;2*+1;/p-2/b6-3+;;;