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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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