2-[[2-acetyloxy-5-(4-dodecoxyphenyl)pentoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium

Systemtic Name: 2-[[2-acetyloxy-5-(4-dodecoxyphenyl)pentoxy]-oxidanyl-phosphanyl]oxyethyl-methyl-azanium Openeye Name: 2-[[2-acetoxy-5-(4-dodecoxyphenyl)pentoxy]-hydroxy-phosphanyl]oxyethyl-methyl-ammonium CAS Name: 2-[[2-acetyloxy-5-(4-dodecoxyphenyl)pentoxy]-hydroxyphosphino]oxyethyl-methylammonium IUPAC Name: 2-[[2-acetyloxy-5-(4-dodecoxyphenyl)pentoxy]-hydroxyphosphanyl]oxyethyl-methylazanium Traditional Name: 2-[[2-acetoxy-5-(4-lauryloxyphenyl)pentoxy]-hydroxy-phosphino]oxyethyl-methyl-ammonium Formula: C28H51NO6P+ MolecularWeight: 528.681401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CCCC(COP(O)OCC[NH2+]C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CCCC(COP(O)OCC[NH2+]C)OC(=O)C

InChI

InChI=1S/C28H50NO6P/c1-4-5-6-7-8-9-10-11-12-13-22-32-27-19-17-26(18-20-27)15-14-16-28(35-25(2)30)24-34-36(31)33-23-21-29-3/h17-20,28-29,31H,4-16,21-24H2,1-3H3/p+1