4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium

Systemtic Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxybutyl-trimethyl-azanium Openeye Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-heptoxy]-hydroxy-phosphoryl]oxybutyl-trimethyl-ammonium CAS Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxybutyl-trimethylammonium IUPAC Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxybutyl-trimethylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)heptoxy]phosphoryl]oxybutyl-trimethyl-ammonium Formula: C33H61NO6P+ MolecularWeight: 598.814301

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CCC)COP(=O)(O)OCCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CCC)COP(=O)(O)OCCCC[N+](C)(C)C

InChI

InChI=1S/C33H60NO6P/c1-6-8-9-10-11-12-13-14-15-17-25-38-33-22-20-30(21-23-33)27-31(28-32(35)19-7-2)29-40-41(36,37)39-26-18-16-24-34(3,4)5/h20-23,31H,6-19,24-29H2,1-5H3/p+1