1,1-diethyl-2,3-dihydrophosphindol-1-ium; 2,4,6-trinitrophenolate

Systemtic Name: 1,1-diethyl-2,3-dihydrophosphindol-1-ium; 2,4,6-trinitrophenolate Openeye Name: 1,1-diethylphosphindolin-1-ium; 2,4,6-trinitrophenolate CAS Name: 1,1-diethyl-2,3-dihydrophosphindol-1-ium; 2,4,6-trinitrophenolate IUPAC Name: 1,1-diethyl-2,3-dihydrophosphindol-1-ium; 2,4,6-trinitrophenolate Traditional Name: 1,1-diethylphosphindolin-1-ium picrate Formula: C18H20N3O7P MolecularWeight: 421.341061

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Descriptors Computed from Structure

Canonical SMILES:

CC[P+]1(CCC2=CC=CC=C21)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[P+]1(CCC2=CC=CC=C21)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H18P.C6H3N3O7/c1-3-13(4-2)10-9-11-7-5-6-8-12(11)13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-8H,3-4,9-10H2,1-2H3;1-2,10H/q+1;/p-1