N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine; phosphono dihydrogen phosphate

Systemtic Name: N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine; phosphono dihydrogen phosphate Openeye Name: N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine; phosphono dihydrogen phosphate CAS Name: N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine; phosphono dihydrogen phosphate IUPAC Name: N,N'-bis(buta-2,3-dienyl)butane-1,4-diamine; phosphono dihydrogen phosphate Traditional Name: buta-2,3-dienyl-[4-(buta-2,3-dienylamino)butyl]amine; phosphono dihydrogen phosphate Formula: C12H28N2O14P4 MolecularWeight: 548.250764

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Descriptors Computed from Structure

Canonical SMILES:

C=C=CCNCCCCNCC=C=C.OP(=O)(O)OP(=O)(O)O.OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C=C=CCNCCCCNCC=C=C.OP(=O)(O)OP(=O)(O)O.OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C12H20N2.2H4O7P2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2;2*1-8(2,3)7-9(4,5)6/h5-6,13-14H,1-2,7-12H2;2*(H2,1,2,3)(H2,4,5,6)