tripropyl-[2-(9H-xanthen-9-ylcarbonyloxy)ethyl]azanium phosphate

Systemtic Name: tripropyl-[2-(9H-xanthen-9-ylcarbonyloxy)ethyl]azanium phosphate Openeye Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium phosphate CAS Name: 2-[oxo(9H-xanthen-9-yl)methoxy]ethyl-tripropylammonium phosphate IUPAC Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium phosphate Traditional Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium phosphate Formula: C75H102N3O13P MolecularWeight: 1284.598441

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.CCC[N+](CCC)(CCC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.CCC[N+](CCC)(CCC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC[N+](CCC)(CCC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.CCC[N+](CCC)(CCC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.CCC[N+](CCC)(CCC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C25H34NO3.H3O4P/c3*1-4-15-26(16-5-2,17-6-3)18-19-28-25(27)24-20-11-7-9-13-22(20)29-23-14-10-8-12-21(23)24;1-5(2,3)4/h3*7-14,24H,4-6,15-19H2,1-3H3;(H3,1,2,3,4)/q3*+1;/p-3