2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium

Systemtic Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxidanylidene-pentoxy]-oxidanyl-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxo-pentoxy]-hydroxy-phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxopentoxy]-hydroxyphosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[[2-[(4-dodecoxyphenyl)methyl]-4-oxopentoxy]-hydroxyphosphoryl]ethyl-trimethylazanium Traditional Name: 2-[hydroxy-[4-keto-2-(4-lauryloxybenzyl)pentoxy]phosphoryl]ethyl-trimethyl-ammonium Formula: C29H53NO5P+ MolecularWeight: 526.708581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52NO5P/c1-6-7-8-9-10-11-12-13-14-15-21-34-29-18-16-27(17-19-29)24-28(23-26(2)31)25-35-36(32,33)22-20-30(3,4)5/h16-19,28H,6-15,20-25H2,1-5H3/p+1