2-[[2-azido-3-(3-dodecanoyloxydeca-5,7,9-triynoxy)propoxy]-prop-2-enoxy-phosphoryl]oxyethylcarbamoylboron

Systemtic Name: 2-[[2-azido-3-(3-dodecanoyloxydeca-5,7,9-triynoxy)propoxy]-prop-2-enoxy-phosphoryl]oxyethylcarbamoylboron Openeye Name: 2-[allyloxy-[2-azido-3-(3-dodecanoyloxydeca-5,7,9-triynoxy)propoxy]phosphoryl]oxyethylcarbamoylboron CAS Name: [[2-[[2-azido-3-[3-(1-oxododecoxy)deca-5,7,9-triynoxy]propoxy]-prop-2-enoxyphosphoryl]oxyethylamino]-oxomethyl]boron IUPAC Name: 2-[[2-azido-3-(3-dodecanoyloxydeca-5,7,9-triynoxy)propoxy]-prop-2-enoxyphosphoryl]oxyethylcarbamoylboron Traditional Name: 2-[allyloxy-[2-azido-3-(3-lauroyloxydeca-5,7,9-triynoxy)propoxy]phosphoryl]oxyethylcarbamoylboron Formula: C31H46BN4O8P MolecularWeight: 644.503701

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCOP(=O)(OCC=C)OCC(COCCC(CC#CC#CC#C)OC(=O)CCCCCCCCCCC)N=[N+]=[N-]

Isomeric SMILES

[B]C(=O)NCCOP(=O)(OCC=C)OCC(COCCC(CC#CC#CC#C)OC(=O)CCCCCCCCCCC)N=[N+]=[N-]

InChI

InChI=1S/C31H46BN4O8P/c1-4-7-9-11-12-13-14-16-18-20-30(37)44-29(19-17-15-10-8-5-2)21-24-40-26-28(35-36-33)27-43-45(39,41-23-6-3)42-25-22-34-31(32)38/h2,6,28-29H,3-4,7,9,11-14,16,18-27H2,1H3,(H,34,38)