4-(dimethylamino)butyl [2-(hexadecoxymethyl)-4-oxidanylidene-hexyl] hydrogen phosphite

Systemtic Name: 4-(dimethylamino)butyl [2-(hexadecoxymethyl)-4-oxidanylidene-hexyl] hydrogen phosphite Openeye Name: 4-(dimethylamino)butyl [2-(hexadecoxymethyl)-4-oxo-hexyl] hydrogen phosphite CAS Name: 4-(dimethylamino)butyl [2-(hexadecoxymethyl)-4-oxohexyl] hydrogen phosphite IUPAC Name: 4-(dimethylamino)butyl [2-(hexadecoxymethyl)-4-oxohexyl] hydrogen phosphite Traditional Name: [2-(cetyloxymethyl)-4-keto-hexyl] 4-(dimethylamino)butyl hydrogen phosphite Formula: C29H60NO5P MolecularWeight: 533.764161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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