[(2R)-2-(hexadecanoylamino)-3-hexadecoxy-propoxy]-oxidanylidene-[2-(phenylmethoxycarbonylamino)ethoxy]phosphanium

Systemtic Name: [(2R)-2-(hexadecanoylamino)-3-hexadecoxy-propoxy]-oxidanylidene-[2-(phenylmethoxycarbonylamino)ethoxy]phosphanium Openeye Name: 2-(benzyloxycarbonylamino)ethoxy-[(2R)-2-(hexadecanoylamino)-3-hexadecoxy-propoxy]-oxo-phosphonium CAS Name: [(2R)-3-hexadecoxy-2-(1-oxohexadecylamino)propoxy]-oxo-[2-(phenylmethoxycarbonylamino)ethoxy]phosphonium IUPAC Name: [(2R)-2-(hexadecanoylamino)-3-hexadecoxypropoxy]-oxo-[2-(phenylmethoxycarbonylamino)ethoxy]phosphanium Traditional Name: 2-(benzyloxycarbonylamino)ethoxy-[(2R)-3-cetyloxy-2-palmitamido-propoxy]-keto-phosphonium Formula: C45H82N2O7P+ MolecularWeight: 794.115541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CO[P+](=O)OCCNC(=O)OCC1=CC=CC=C1)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](CO[P+](=O)OCCNC(=O)OCC1=CC=CC=C1)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C45H81N2O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-37-51-40-43(47-44(48)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)41-54-55(50)53-38-36-46-45(49)52-39-42-33-29-28-30-34-42/h28-30,33-34,43H,3-27,31-32,35-41H2,1-2H3,(H-,46,47,48,49)/p+1/t43-/m1/s1