sodium 3-methanidylheptane phosphate

Systemtic Name: sodium 3-methanidylheptane phosphate Openeye Name: sodium 3-methanidylheptane phosphate CAS Name: sodium 3-methanidylheptane phosphate IUPAC Name: sodium 3-methanidylheptane phosphate Traditional Name: sodium 3-methanidylheptane phosphate Formula: C16H34NaO4P-4 MolecularWeight: 344.402291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H17.Na.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;+1;/p-3