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

Systemtic Name: trimethyl-[2-(9H-xanthen-9-ylcarbonyloxy)propyl]azanium phosphate Openeye Name: trimethyl-[2-(9H-xanthene-9-carbonyloxy)propyl]ammonium phosphate CAS Name: trimethyl-[2-[oxo(9H-xanthen-9-yl)methoxy]propyl]ammonium phosphate IUPAC Name: trimethyl-[2-(9H-xanthene-9-carbonyloxy)propyl]azanium phosphate Traditional Name: trimethyl-[2-(9H-xanthene-9-carbonyloxy)propyl]ammonium phosphate Formula: C60H72N3O13P MolecularWeight: 1074.199741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C20H24NO3.H3O4P/c3*1-14(13-21(2,3)4)23-20(22)19-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)19;1-5(2,3)4/h3*5-12,14,19H,13H2,1-4H3;(H3,1,2,3,4)/q3*+1;/p-3