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

Systemtic Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxybutyl-methyl-azanium Openeye Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-hexoxy]-hydroxy-phosphoryl]oxybutyl-methyl-ammonium CAS Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxybutyl-methylammonium IUPAC Name: 4-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxybutyl-methylazanium Traditional Name: 4-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)hexoxy]phosphoryl]oxybutyl-methyl-ammonium Formula: C30H55NO6P+ MolecularWeight: 556.734561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CC)COP(=O)(O)OCCCC[NH2+]C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CC)COP(=O)(O)OCCCC[NH2+]C

InChI

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