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

Systemtic Name: tripropyl-[2-(9H-xanthen-9-ylcarbonyloxy)propyl]azanium phosphate Openeye Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)propyl]ammonium phosphate CAS Name: 2-[oxo(9H-xanthen-9-yl)methoxy]propyl-tripropylammonium phosphate IUPAC Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)propyl]azanium phosphate Traditional Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)propyl]ammonium phosphate Formula: C78H108N3O13P MolecularWeight: 1326.678181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C26H36NO3.H3O4P/c3*1-5-16-27(17-6-2,18-7-3)19-20(4)29-26(28)25-21-12-8-10-14-23(21)30-24-15-11-9-13-22(24)25;1-5(2,3)4/h3*8-15,20,25H,5-7,16-19H2,1-4H3;(H3,1,2,3,4)/q3*+1;/p-3