3-ethylpentyl-[5-(4-nitrophenyl)pentyl]azanium phosphate

Systemtic Name: 3-ethylpentyl-[5-(4-nitrophenyl)pentyl]azanium phosphate Openeye Name: 3-ethylpentyl-[5-(4-nitrophenyl)pentyl]ammonium phosphate CAS Name: 3-ethylpentyl-[5-(4-nitrophenyl)pentyl]ammonium phosphate IUPAC Name: 3-ethylpentyl-[5-(4-nitrophenyl)pentyl]azanium phosphate Traditional Name: 3-ethylpentyl-[5-(4-nitrophenyl)pentyl]ammonium phosphate Formula: C18H31N2O6P-2 MolecularWeight: 402.422301

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC[NH2+]CCCCCC1=CC=C(C=C1)[N+](=O)[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC(CC)CC[NH2+]CCCCCC1=CC=C(C=C1)[N+](=O)[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C18H30N2O2.H3O4P/c1-3-16(4-2)13-15-19-14-7-5-6-8-17-9-11-18(12-10-17)20(21)22;1-5(2,3)4/h9-12,16,19H,3-8,13-15H2,1-2H3;(H3,1,2,3,4)/p-2