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

Systemtic Name: 2-dimethylaminoethyl [4-oxidanylidene-2-[2-(4-undecoxyphenyl)ethyl]hexyl] hydrogen phosphate Openeye Name: 2-dimethylaminoethyl [4-oxo-2-[2-(4-undecoxyphenyl)ethyl]hexyl] hydrogen phosphate CAS Name: 2-dimethylaminoethyl [4-oxo-2-[2-(4-undecoxyphenyl)ethyl]hexyl] hydrogen phosphate IUPAC Name: 2-dimethylaminoethyl [4-oxo-2-[2-(4-undecoxyphenyl)ethyl]hexyl] hydrogen phosphate Traditional Name: 2-dimethylaminoethyl [4-keto-2-[2-(4-undecoxyphenyl)ethyl]hexyl] hydrogen phosphate Formula: C29H52NO6P MolecularWeight: 541.700041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO6P/c1-5-7-8-9-10-11-12-13-14-22-34-29-19-17-26(18-20-29)15-16-27(24-28(31)6-2)25-36-37(32,33)35-23-21-30(3)4/h17-20,27H,5-16,21-25H2,1-4H3,(H,32,33)