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

Systemtic Name: 3-(methylamino)propyl [4-oxidanylidene-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate Openeye Name: 3-(methylamino)propyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate CAS Name: 3-(methylamino)propyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate IUPAC Name: 3-(methylamino)propyl [4-oxo-2-[(3-tridecoxyphenyl)methyl]hexyl] hydrogen phosphate Traditional Name: [4-keto-2-(3-tridecoxybenzyl)hexyl] 3-(methylamino)propyl 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)OCCCNC

Isomeric SMILES

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

InChI

InChI=1S/C30H54NO6P/c1-4-6-7-8-9-10-11-12-13-14-15-21-35-30-19-16-18-27(25-30)23-28(24-29(32)5-2)26-37-38(33,34)36-22-17-20-31-3/h16,18-19,25,28,31H,4-15,17,20-24,26H2,1-3H3,(H,33,34)