octane; phosphono dihydrogen phosphate

Systemtic Name: octane; phosphono dihydrogen phosphate Openeye Name: octane; phosphono dihydrogen phosphate CAS Name: octane; phosphono dihydrogen phosphate IUPAC Name: octane; phosphono dihydrogen phosphate Traditional Name: n-octane; phosphono dihydrogen phosphate Formula: C8H22O7P2 MolecularWeight: 292.203602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CCCCCCCC.OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C8H18.H4O7P2/c1-3-5-7-8-6-4-2;1-8(2,3)7-9(4,5)6/h3-8H2,1-2H3;(H2,1,2,3)(H2,4,5,6)