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

Systemtic Name: trimethyl-[2-(9H-xanthen-9-ylcarbonyloxy)ethyl]azanium phosphate Openeye Name: trimethyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium phosphate CAS Name: trimethyl-[2-[oxo(9H-xanthen-9-yl)methoxy]ethyl]ammonium phosphate IUPAC Name: trimethyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium phosphate Traditional Name: trimethyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium phosphate Formula: C57H66N3O13P MolecularWeight: 1032.120001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C19H22NO3.H3O4P/c3*1-20(2,3)12-13-22-19(21)18-14-8-4-6-10-16(14)23-17-11-7-5-9-15(17)18;1-5(2,3)4/h3*4-11,18H,12-13H2,1-3H3;(H3,1,2,3,4)/q3*+1;/p-3