2-[bis[(9Z,12Z)-octadeca-9,12-dienoxy]phosphorylamino]ethyl-trimethyl-arsanium iodide

Systemtic Name: 2-[bis[(9Z,12Z)-octadeca-9,12-dienoxy]phosphorylamino]ethyl-trimethyl-arsanium iodide Openeye Name: 2-[bis[(9Z,12Z)-octadeca-9,12-dienoxy]phosphorylamino]ethyl-trimethyl-arsonium iodide CAS Name: 2-[bis[(9Z,12Z)-octadeca-9,12-dienoxy]phosphorylamino]ethyl-trimethylarsonium iodide IUPAC Name: 2-[bis[(9Z,12Z)-octadeca-9,12-dienoxy]phosphorylamino]ethyl-trimethylarsanium iodide Traditional Name: 2-[bis[(9Z,12Z)-octadeca-9,12-dienoxy]phosphorylamino]ethyl-trimethyl-arsonium iodide Formula: C41H80AsINO3P MolecularWeight: 867.878631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOP(=O)(NCC[As+](C)(C)C)OCCCCCCCCC=CCC=CCCCCC.[I-]

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCCOP(=O)(OCCCCCCCC/C=C\C/C=C\CCCCC)NCC[As+](C)(C)C.[I-]

InChI

InChI=1S/C41H80AsNO3P.HI/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40-45-47(44,43-39-38-42(3,4)5)46-41-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h14-17,20-23H,6-13,18-19,24-41H2,1-5H3,(H,43,44);1H/q+1;/p-1/b16-14-,17-15-,22-20-,23-21-;