2-[[15-(3-iodanylphenyl)-3,3-bis(oxidanyl)pentadecoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[15-(3-iodanylphenyl)-3,3-bis(oxidanyl)pentadecoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[3,3-dihydroxy-15-(3-iodophenyl)pentadecoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[3,3-dihydroxy-15-(3-iodophenyl)pentadecoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[3,3-dihydroxy-15-(3-iodophenyl)pentadecoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[3,3-dihydroxy-15-(3-iodophenyl)pentadecoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C26H48INO6P+ MolecularWeight: 628.540651

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)(O)OCCC(CCCCCCCCCCCCC1=CC(=CC=C1)I)(O)O

Isomeric SMILES

C[N+](C)(C)CCOP(=O)(O)OCCC(CCCCCCCCCCCCC1=CC(=CC=C1)I)(O)O

InChI

InChI=1S/C26H47INO6P/c1-28(2,3)20-22-34-35(31,32)33-21-19-26(29,30)18-13-11-9-7-5-4-6-8-10-12-15-24-16-14-17-25(27)23-24/h14,16-17,23,29-30H,4-13,15,18-22H2,1-3H3/p+1