3-(methylamino)propyl 2-(2-oxidanylidenebutyl)henicosyl hydrogen phosphate

Systemtic Name: 3-(methylamino)propyl 2-(2-oxidanylidenebutyl)henicosyl hydrogen phosphate Openeye Name: 3-(methylamino)propyl 2-(2-oxobutyl)henicosyl hydrogen phosphate CAS Name: 3-(methylamino)propyl 2-(2-oxobutyl)heneicosyl hydrogen phosphate IUPAC Name: 3-(methylamino)propyl 2-(2-oxobutyl)henicosyl hydrogen phosphate Traditional Name: 2-(2-ketobutyl)heneicosyl 3-(methylamino)propyl hydrogen phosphate Formula: C29H60NO5P MolecularWeight: 533.764161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCCNC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCCNC

InChI

InChI=1S/C29H60NO5P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28(26-29(31)5-2)27-35-36(32,33)34-25-22-24-30-3/h28,30H,4-27H2,1-3H3,(H,32,33)