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

Systemtic Name: 2-(methylamino)ethyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate Openeye Name: 2-(methylamino)ethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate CAS Name: 2-(methylamino)ethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate IUPAC Name: 2-(methylamino)ethyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate Traditional Name: [4-keto-2-(3-tridecoxybenzyl)hexyl] 2-(methylamino)ethyl hydrogen phosphate Formula: C29H52NO6P MolecularWeight: 541.700041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)CC)COP(=O)(O)OCCNC

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=CC(=C1)CC(CC(=O)CC)COP(=O)(O)OCCNC

InChI

InChI=1S/C29H52NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-20-34-29-18-16-17-26(24-29)22-27(23-28(31)5-2)25-36-37(32,33)35-21-19-30-3/h16-18,24,27,30H,4-15,19-23,25H2,1-3H3,(H,32,33)