3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxypropyl-dimethyl-azanium

Systemtic Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-heptoxy]-oxidanyl-phosphoryl]oxypropyl-dimethyl-azanium Openeye Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-heptoxy]-hydroxy-phosphoryl]oxypropyl-dimethyl-ammonium CAS Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxypropyl-dimethylammonium IUPAC Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxoheptoxy]-hydroxyphosphoryl]oxypropyl-dimethylazanium Traditional Name: 3-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)heptoxy]phosphoryl]oxypropyl-dimethyl-ammonium Formula: C31H57NO6P+ MolecularWeight: 570.761141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CCC)COP(=O)(O)OCCC[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC(CC(=O)CCC)COP(=O)(O)OCCC[NH+](C)C

InChI

InChI=1S/C31H56NO6P/c1-5-7-8-9-10-11-12-13-14-15-23-36-31-20-18-28(19-21-31)25-29(26-30(33)17-6-2)27-38-39(34,35)37-24-16-22-32(3)4/h18-21,29H,5-17,22-27H2,1-4H3,(H,34,35)/p+1