2-(2-oxidanylidenebutyl)henicosyl 3-pyrrolidin-1-ylpropyl hydrogen phosphate

Systemtic Name: 2-(2-oxidanylidenebutyl)henicosyl 3-pyrrolidin-1-ylpropyl hydrogen phosphate Openeye Name: 2-(2-oxobutyl)henicosyl 3-pyrrolidin-1-ylpropyl hydrogen phosphate CAS Name: 2-(2-oxobutyl)heneicosyl 3-(1-pyrrolidinyl)propyl hydrogen phosphate IUPAC Name: 2-(2-oxobutyl)henicosyl 3-pyrrolidin-1-ylpropyl hydrogen phosphate Traditional Name: 2-(2-ketobutyl)heneicosyl 3-pyrrolidinopropyl hydrogen phosphate Formula: C32H64NO5P MolecularWeight: 573.828021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCCN1CCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCCN1CCCC1

InChI

InChI=1S/C32H64NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31(29-32(34)4-2)30-38-39(35,36)37-28-23-27-33-25-21-22-26-33/h31H,3-30H2,1-2H3,(H,35,36)