2-azanylethyl phosphate; (2-octadecoxy-3-oxidanyl-propyl) octadecanoate

Systemtic Name: 2-azanylethyl phosphate; (2-octadecoxy-3-oxidanyl-propyl) octadecanoate Openeye Name: 2-aminoethyl phosphate; (3-hydroxy-2-octadecoxy-propyl) octadecanoate CAS Name: 2-aminoethyl phosphate; octadecanoic acid (3-hydroxy-2-octadecoxypropyl) ester IUPAC Name: 2-aminoethyl phosphate; (3-hydroxy-2-octadecoxypropyl) octadecanoate Traditional Name: 2-aminoethyl phosphate; stearic acid (3-hydroxy-2-stearyloxy-propyl) ester Formula: C41H84NO8P-2 MolecularWeight: 750.081321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(CO)COC(=O)CCCCCCCCCCCCCCCCC.C(COP(=O)([O-])[O-])N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(CO)COC(=O)CCCCCCCCCCCCCCCCC.C(COP(=O)([O-])[O-])N

InChI

InChI=1S/C39H78O4.C2H8NO4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-38(36-40)37-43-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;3-1-2-7-8(4,5)6/h38,40H,3-37H2,1-2H3;1-3H2,(H2,4,5,6)/p-2