(2-azanyl-2-ethenyl-3-oxidanyl-1,1,3-tritritio-octadecyl) bis(2-cyanoethyl) phosphate

Systemtic Name: (2-azanyl-2-ethenyl-3-oxidanyl-1,1,3-tritritio-octadecyl) bis(2-cyanoethyl) phosphate Openeye Name: (2-amino-3-hydroxy-1,1,3-tritritio-2-vinyl-octadecyl) bis(2-cyanoethyl) phosphate CAS Name: phosphoric acid (2-amino-2-ethenyl-3-hydroxy-1,1,3-tritritiooctadecyl) bis(2-cyanoethyl) ester IUPAC Name: (2-amino-2-ethenyl-3-hydroxy-1,1,3-tritritiooctadecyl) bis(2-cyanoethyl) phosphate Traditional Name: phosphoric acid [2-amino-2-(1-hydroxy-1-tritio-hexadecyl)-1,1-ditritio-but-3-enyl] bis(2-cyanoethyl) ester Formula: C26H48N3O5P MolecularWeight: 519.674509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(COP(=O)(OCCC#N)OCCC#N)(C=C)N)O

Isomeric SMILES

[3H]C([3H])(C(C=C)(C([3H])(CCCCCCCCCCCCCCC)O)N)OP(=O)(OCCC#N)OCCC#N

InChI

InChI=1S/C26H48N3O5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-25(30)26(29,4-2)24-34-35(31,32-22-17-20-27)33-23-18-21-28/h4,25,30H,2-3,5-19,22-24,29H2,1H3/i24T2,25T