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

Systemtic Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxypropyl-dimethyl-azanium Openeye Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-hexoxy]-hydroxy-phosphoryl]oxypropyl-dimethyl-ammonium CAS Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxypropyl-dimethylammonium IUPAC Name: 3-[[2-[(4-dodecoxyphenyl)methyl]-4-oxohexoxy]-hydroxyphosphoryl]oxypropyl-dimethylazanium Traditional Name: 3-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)hexoxy]phosphoryl]oxypropyl-dimethyl-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)OCCC[NH+](C)C

Isomeric SMILES

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

InChI

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