2-dimethylaminoethyl [2-[3-(4-dodecoxyphenyl)propyl]-4-oxidanylidene-heptyl] hydrogen phosphate

Systemtic Name: 2-dimethylaminoethyl [2-[3-(4-dodecoxyphenyl)propyl]-4-oxidanylidene-heptyl] hydrogen phosphate Openeye Name: 2-dimethylaminoethyl [2-[3-(4-dodecoxyphenyl)propyl]-4-oxo-heptyl] hydrogen phosphate CAS Name: 2-dimethylaminoethyl [2-[3-(4-dodecoxyphenyl)propyl]-4-oxoheptyl] hydrogen phosphate IUPAC Name: 2-dimethylaminoethyl [2-[3-(4-dodecoxyphenyl)propyl]-4-oxoheptyl] hydrogen phosphate Traditional Name: 2-dimethylaminoethyl [4-keto-2-[3-(4-lauryloxyphenyl)propyl]heptyl] hydrogen phosphate Formula: C32H58NO6P MolecularWeight: 583.779781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CCCC(CC(=O)CCC)COP(=O)(O)OCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CCCC(CC(=O)CCC)COP(=O)(O)OCCN(C)C

InChI

InChI=1S/C32H58NO6P/c1-5-7-8-9-10-11-12-13-14-15-25-37-32-22-20-29(21-23-32)18-16-19-30(27-31(34)17-6-2)28-39-40(35,36)38-26-24-33(3)4/h20-23,30H,5-19,24-28H2,1-4H3,(H,35,36)