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

Systemtic Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptyl] 3-(methylamino)propyl hydrogen phosphate Openeye Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxo-heptyl] 3-(methylamino)propyl hydrogen phosphate CAS Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxoheptyl] 3-(methylamino)propyl hydrogen phosphate IUPAC Name: [2-[(4-dodecoxyphenyl)methyl]-4-oxoheptyl] 3-(methylamino)propyl hydrogen phosphate Traditional Name: [4-keto-2-(4-lauryloxybenzyl)heptyl] 3-(methylamino)propyl hydrogen phosphate Formula: C30H54NO6P MolecularWeight: 555.726621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54NO6P/c1-4-6-7-8-9-10-11-12-13-14-22-35-30-19-17-27(18-20-30)24-28(25-29(32)16-5-2)26-37-38(33,34)36-23-15-21-31-3/h17-20,28,31H,4-16,21-26H2,1-3H3,(H,33,34)