triethyl-(4-propanoyloxyphenyl)phosphanium; 2,4,6-trinitrophenolate

Systemtic Name: triethyl-(4-propanoyloxyphenyl)phosphanium; 2,4,6-trinitrophenolate Openeye Name: triethyl-(4-propanoyloxyphenyl)phosphonium; 2,4,6-trinitrophenolate CAS Name: triethyl-[4-(1-oxopropoxy)phenyl]phosphonium; 2,4,6-trinitrophenolate IUPAC Name: triethyl-(4-propanoyloxyphenyl)phosphanium; 2,4,6-trinitrophenolate Traditional Name: triethyl-(4-propionyloxyphenyl)phosphonium picrate Formula: C21H26N3O9P MolecularWeight: 495.419601

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=C(C=C1)[P+](CC)(CC)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC1=CC=C(C=C1)[P+](CC)(CC)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H24O2P.C6H3N3O7/c1-5-15(16)17-13-9-11-14(12-10-13)18(6-2,7-3)8-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-12H,5-8H2,1-4H3;1-2,10H/q+1;/p-1