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

Systemtic Name: triethyl-[2-(9H-xanthen-9-ylcarbonyloxy)pentyl]azanium phosphate Openeye Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)pentyl]ammonium phosphate CAS Name: triethyl-[2-[oxo(9H-xanthen-9-yl)methoxy]pentyl]ammonium phosphate IUPAC Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)pentyl]azanium phosphate Traditional Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)pentyl]ammonium phosphate Formula: C75H102N3O13P MolecularWeight: 1284.598441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C25H34NO3.H3O4P/c3*1-5-13-19(18-26(6-2,7-3)8-4)28-25(27)24-20-14-9-11-16-22(20)29-23-17-12-10-15-21(23)24;1-5(2,3)4/h3*9-12,14-17,19,24H,5-8,13,18H2,1-4H3;(H3,1,2,3,4)/q3*+1;/p-3