2-(2-oxidanylidenebutyl)octadecyl 2-pyrrolidin-1-ylethyl hydrogen phosphate

Systemtic Name: 2-(2-oxidanylidenebutyl)octadecyl 2-pyrrolidin-1-ylethyl hydrogen phosphate Openeye Name: 2-(2-oxobutyl)octadecyl 2-pyrrolidin-1-ylethyl hydrogen phosphate CAS Name: 2-(2-oxobutyl)octadecyl 2-(1-pyrrolidinyl)ethyl hydrogen phosphate IUPAC Name: 2-(2-oxobutyl)octadecyl 2-pyrrolidin-1-ylethyl hydrogen phosphate Traditional Name: 2-(2-ketobutyl)octadecyl 2-pyrrolidinoethyl hydrogen phosphate Formula: C28H56NO5P MolecularWeight: 517.721701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCN1CCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(=O)CC)COP(=O)(O)OCCN1CCCC1

InChI

InChI=1S/C28H56NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(25-28(30)4-2)26-34-35(31,32)33-24-23-29-21-18-19-22-29/h27H,3-26H2,1-2H3,(H,31,32)