propyl carbamimidothioate; 2,4,6-trinitrophenol

Systemtic Name: propyl carbamimidothioate; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-propylisothiourea CAS Name: carbamimidothioic acid propyl ester; 2,4,6-trinitrophenol IUPAC Name: propyl carbamimidothioate; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-propylisothiourea Formula: C10H13N5O7S MolecularWeight: 347.30452

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCSC(=N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7.C4H10N2S/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-2-3-7-4(5)6/h1-2,10H;2-3H2,1H3,(H3,5,6)