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

Systemtic Name: triethyl-[2-(9H-xanthen-9-ylcarbonyloxy)propyl]azanium phosphate Openeye Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)propyl]ammonium phosphate CAS Name: triethyl-[2-[oxo(9H-xanthen-9-yl)methoxy]propyl]ammonium phosphate IUPAC Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)propyl]azanium phosphate Traditional Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)propyl]ammonium phosphate Formula: C69H90N3O13P MolecularWeight: 1200.438961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C23H30NO3.H3O4P/c3*1-5-24(6-2,7-3)16-17(4)26-23(25)22-18-12-8-10-14-20(18)27-21-15-11-9-13-19(21)22;1-5(2,3)4/h3*8-15,17,22H,5-7,16H2,1-4H3;(H3,1,2,3,4)/q3*+1;/p-3