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

Systemtic Name: triethyl-[2-(9H-xanthen-9-ylcarbonyloxy)butyl]azanium phosphate Openeye Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)butyl]ammonium phosphate CAS Name: triethyl-[2-[oxo(9H-xanthen-9-yl)methoxy]butyl]ammonium phosphate IUPAC Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)butyl]azanium phosphate Traditional Name: triethyl-[2-(9H-xanthene-9-carbonyloxy)butyl]ammonium phosphate Formula: C72H96N3O13P MolecularWeight: 1242.518701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C24H32NO3.H3O4P/c3*1-5-18(17-25(6-2,7-3)8-4)27-24(26)23-19-13-9-11-15-21(19)28-22-16-12-10-14-20(22)23;1-5(2,3)4/h3*9-16,18,23H,5-8,17H2,1-4H3;(H3,1,2,3,4)/q3*+1;/p-3