4-(dimethylamino)butyl 2-(2-oxidanylidenepropyl)icosyl hydrogen phosphate

Systemtic Name: 4-(dimethylamino)butyl 2-(2-oxidanylidenepropyl)icosyl hydrogen phosphate Openeye Name: 2-acetonylicosyl 4-(dimethylamino)butyl hydrogen phosphate CAS Name: 4-(dimethylamino)butyl 2-(2-oxopropyl)eicosyl hydrogen phosphate IUPAC Name: 4-(dimethylamino)butyl 2-(2-oxopropyl)icosyl hydrogen phosphate Traditional Name: 2-acetonyleicosyl 4-(dimethylamino)butyl hydrogen phosphate Formula: C29H60NO5P MolecularWeight: 533.764161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)C)COP(=O)(O)OCCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)C)COP(=O)(O)OCCCCN(C)C

InChI

InChI=1S/C29H60NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29(26-28(2)31)27-35-36(32,33)34-25-22-21-24-30(3)4/h29H,5-27H2,1-4H3,(H,32,33)