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

Systemtic Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-hexyl] 3-(methylamino)propyl hydrogen phosphate Openeye Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxo-hexyl] 3-(methylamino)propyl hydrogen phosphate CAS Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxohexyl] 3-(methylamino)propyl hydrogen phosphate IUPAC Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxohexyl] 3-(methylamino)propyl hydrogen phosphate Traditional Name: [4-keto-2-(4-lauryloxybenzyl)hexyl] 3-(methylamino)propyl hydrogen phosphate Formula: C29H52NO6P MolecularWeight: 541.700041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CC)COP(=O)(O)OCCCNC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CC)COP(=O)(O)OCCCNC

InChI

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