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

Systemtic Name: triethyl-[2-(9H-xanthen-9-ylcarbonyloxy)ethyl]azanium phosphate Openeye Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium phosphate CAS Name: triethyl-[2-[oxo(9H-xanthen-9-yl)methoxy]ethyl]ammonium phosphate IUPAC Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium phosphate Traditional Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]ammonium phosphate Formula: C66H84N3O13P MolecularWeight: 1158.359221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C22H28NO3.H3O4P/c3*1-4-23(5-2,6-3)15-16-25-22(24)21-17-11-7-9-13-19(17)26-20-14-10-8-12-18(20)21;1-5(2,3)4/h3*7-14,21H,4-6,15-16H2,1-3H3;(H3,1,2,3,4)/q3*+1;/p-3