[azanyl(sulfanyl)methylidene]azanium; 1,3,5-trinitro-2-phenylmethoxy-benzene

Systemtic Name: [azanyl(sulfanyl)methylidene]azanium; 1,3,5-trinitro-2-phenylmethoxy-benzene Openeye Name: [amino(sulfanyl)methylene]ammonium; 2-benzyloxy-1,3,5-trinitro-benzene CAS Name: [amino(mercapto)methylidene]ammonium; 1,3,5-trinitro-2-phenylmethoxybenzene IUPAC Name: [amino(sulfanyl)methylidene]azanium; 1,3,5-trinitro-2-phenylmethoxybenzene Traditional Name: [amino(mercapto)methylene]ammonium; 2-benzoxy-1,3,5-trinitro-benzene Formula: C14H14N5O7S+ MolecularWeight: 396.35526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C(=[NH2+])(N)S

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C(=[NH2+])(N)S

InChI

InChI=1S/C13H9N3O7.CH4N2S/c17-14(18)10-6-11(15(19)20)13(12(7-10)16(21)22)23-8-9-4-2-1-3-5-9;2-1(3)4/h1-7H,8H2;(H4,2,3,4)/p+1