2-dimethylaminoethyl [4-oxidanylidene-2-[2-(4-undecoxyphenyl)ethyl]heptyl] hydrogen phosphate

Systemtic Name: 2-dimethylaminoethyl [4-oxidanylidene-2-[2-(4-undecoxyphenyl)ethyl]heptyl] hydrogen phosphate Openeye Name: 2-dimethylaminoethyl [4-oxo-2-[2-(4-undecoxyphenyl)ethyl]heptyl] hydrogen phosphate CAS Name: 2-dimethylaminoethyl [4-oxo-2-[2-(4-undecoxyphenyl)ethyl]heptyl] hydrogen phosphate IUPAC Name: 2-dimethylaminoethyl [4-oxo-2-[2-(4-undecoxyphenyl)ethyl]heptyl] hydrogen phosphate Traditional Name: 2-dimethylaminoethyl [4-keto-2-[2-(4-undecoxyphenyl)ethyl]heptyl] hydrogen phosphate Formula: C30H54NO6P MolecularWeight: 555.726621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)CCC(CC(=O)CCC)COP(=O)(O)OCCN(C)C

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)CCC(CC(=O)CCC)COP(=O)(O)OCCN(C)C

InChI

InChI=1S/C30H54NO6P/c1-5-7-8-9-10-11-12-13-14-23-35-30-20-18-27(19-21-30)16-17-28(25-29(32)15-6-2)26-37-38(33,34)36-24-22-31(3)4/h18-21,28H,5-17,22-26H2,1-4H3,(H,33,34)