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

Systemtic Name: 4-(dimethylamino)butyl [2-(hexadecoxymethyl)-4-oxidanylidene-heptyl] hydrogen phosphite Openeye Name: 4-(dimethylamino)butyl [2-(hexadecoxymethyl)-4-oxo-heptyl] hydrogen phosphite CAS Name: 4-(dimethylamino)butyl [2-(hexadecoxymethyl)-4-oxoheptyl] hydrogen phosphite IUPAC Name: 4-(dimethylamino)butyl [2-(hexadecoxymethyl)-4-oxoheptyl] hydrogen phosphite Traditional Name: [2-(cetyloxymethyl)-4-keto-heptyl] 4-(dimethylamino)butyl hydrogen phosphite Formula: C30H62NO5P MolecularWeight: 547.790741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H62NO5P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-34-27-29(26-30(32)22-6-2)28-36-37(33)35-25-21-19-23-31(3)4/h29,33H,5-28H2,1-4H3