barium(2+); 3-methanidylheptane; phosphate

Systemtic Name: barium(2+); 3-methanidylheptane; phosphate Openeye Name: barium(2+); 3-methanidylheptane; phosphate CAS Name: barium(2+); 3-methanidylheptane; phosphate IUPAC Name: barium(2+); 3-methanidylheptane; phosphate Traditional Name: barium(2+); 3-methanidylheptane; phosphate Formula: C16H34BaO4P-3 MolecularWeight: 458.739521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC([CH2-])CC.CCCCC([CH2-])CC.[O-]P(=O)([O-])[O-].[Ba+2]

Isomeric SMILES

CCCCC([CH2-])CC.CCCCC([CH2-])CC.[O-]P(=O)([O-])[O-].[Ba+2]

InChI

InChI=1S/2C8H17.Ba.H3O4P/c2*1-4-6-7-8(3)5-2;;1-5(2,3)4/h2*8H,3-7H2,1-2H3;;(H3,1,2,3,4)/q2*-1;+2;/p-3