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

Systemtic Name: tripropyl-[2-(9H-xanthen-9-ylcarbonyloxy)butyl]azanium phosphate Openeye Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)butyl]ammonium phosphate CAS Name: 2-[oxo(9H-xanthen-9-yl)methoxy]butyl-tripropylammonium phosphate IUPAC Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)butyl]azanium phosphate Traditional Name: tripropyl-[2-(9H-xanthene-9-carbonyloxy)butyl]ammonium phosphate Formula: C81H114N3O13P MolecularWeight: 1368.757921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C27H38NO3.H3O4P/c3*1-5-17-28(18-6-2,19-7-3)20-21(8-4)30-27(29)26-22-13-9-11-15-24(22)31-25-16-12-10-14-23(25)26;1-5(2,3)4/h3*9-16,21,26H,5-8,17-20H2,1-4H3;(H3,1,2,3,4)/q3*+1;/p-3