barium(2+); hexoxy-[oxidanyl(phosphonato)methyl]phosphinate

Systemtic Name: barium(2+); hexoxy-[oxidanyl(phosphonato)methyl]phosphinate Openeye Name: barium(2+); hexoxy-[hydroxy(phosphonato)methyl]phosphinate CAS Name: barium(2+); hexoxy-[hydroxy(phosphonato)methyl]phosphinate IUPAC Name: barium(2+); hexoxy-[hydroxy(phosphonato)methyl]phosphinate Traditional Name: barium(2+); hexoxy-[hydroxy(phosphonato)methyl]phosphinate Formula: C14H30Ba3O14P4 MolecularWeight: 958.255644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].[Ba+2].[Ba+2].[Ba+2]

Isomeric SMILES

CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].CCCCCCOP(=O)(C(O)P(=O)([O-])[O-])[O-].[Ba+2].[Ba+2].[Ba+2]

InChI

InChI=1S/2C7H18O7P2.3Ba/c2*1-2-3-4-5-6-14-16(12,13)7(8)15(9,10)11;;;/h2*7-8H,2-6H2,1H3,(H,12,13)(H2,9,10,11);;;/q;;3*+2/p-6