3-(methylamino)propyl [4-oxidanylidene-2-[(4-tetradecoxyphenyl)methyl]hexyl] hydrogen phosphate

Systemtic Name: 3-(methylamino)propyl [4-oxidanylidene-2-[(4-tetradecoxyphenyl)methyl]hexyl] hydrogen phosphate Openeye Name: 3-(methylamino)propyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]hexyl] hydrogen phosphate CAS Name: 3-(methylamino)propyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]hexyl] hydrogen phosphate IUPAC Name: 3-(methylamino)propyl [4-oxo-2-[(4-tetradecoxyphenyl)methyl]hexyl] hydrogen phosphate Traditional Name: [4-keto-2-(4-myristyloxybenzyl)hexyl] 3-(methylamino)propyl hydrogen phosphate Formula: C31H56NO6P MolecularWeight: 569.753201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CC)COP(=O)(O)OCCCNC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CC)COP(=O)(O)OCCCNC

InChI

InChI=1S/C31H56NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-16-23-36-31-20-18-28(19-21-31)25-29(26-30(33)5-2)27-38-39(34,35)37-24-17-22-32-3/h18-21,29,32H,4-17,22-27H2,1-3H3,(H,34,35)