butyl carbamimidothioate; 2,4,6-trinitrophenol

Systemtic Name: butyl carbamimidothioate; 2,4,6-trinitrophenol Openeye Name: 2-butylisothiourea; picric acid CAS Name: carbamimidothioic acid butyl ester; 2,4,6-trinitrophenol IUPAC Name: butyl carbamimidothioate; 2,4,6-trinitrophenol Traditional Name: 2-butylisothiourea; picric acid Formula: C11H15N5O7S MolecularWeight: 361.3311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C5H12N2S/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-2-3-4-8-5(6)7/h1-2,10H;2-4H2,1H3,(H3,6,7)