[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-pentyl] 2-(methylamino)ethyl hydrogen phosphate

Systemtic Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-pentyl] 2-(methylamino)ethyl hydrogen phosphate Openeye Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxo-pentyl] 2-(methylamino)ethyl hydrogen phosphate CAS Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxopentyl] 2-(methylamino)ethyl hydrogen phosphate IUPAC Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxopentyl] 2-(methylamino)ethyl hydrogen phosphate Traditional Name: [4-keto-2-(4-lauryloxybenzyl)pentyl] 2-(methylamino)ethyl hydrogen phosphate Formula: C27H48NO6P MolecularWeight: 513.646881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48NO6P/c1-4-5-6-7-8-9-10-11-12-13-19-32-27-16-14-25(15-17-27)22-26(21-24(2)29)23-34-35(30,31)33-20-18-28-3/h14-17,26,28H,4-13,18-23H2,1-3H3,(H,30,31)