2-dimethylaminoethyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate

Systemtic Name: 2-dimethylaminoethyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate Openeye Name: 2-dimethylaminoethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate CAS Name: 2-dimethylaminoethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate IUPAC Name: 2-dimethylaminoethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate Traditional Name: 2-dimethylaminoethyl [4-keto-2-(3-tridecoxybenzyl)hexyl] hydrogen phosphate Formula: C30H54NO6P MolecularWeight: 555.726621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)CC)COP(=O)(O)OCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)CC)COP(=O)(O)OCCN(C)C

InChI

InChI=1S/C30H54NO6P/c1-5-7-8-9-10-11-12-13-14-15-16-21-35-30-19-17-18-27(25-30)23-28(24-29(32)6-2)26-37-38(33,34)36-22-20-31(3)4/h17-19,25,28H,5-16,20-24,26H2,1-4H3,(H,33,34)