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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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