3,5-dinitro-2-phenyl-azepane-1-carbodithioic acid

Systemtic Name: 3,5-dinitro-2-phenyl-azepane-1-carbodithioic acid Openeye Name: 3,5-dinitro-2-phenyl-azepane-1-carbodithioic acid CAS Name: 3,5-dinitro-2-phenyl-1-azepanecarbodithioic acid IUPAC Name: 3,5-dinitro-2-phenylazepane-1-carbodithioic acid Traditional Name: 3,5-dinitro-2-phenyl-azepane-1-carbodithioic acid Formula: C13H15N3O4S2 MolecularWeight: 341.4059

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(CC1[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2)C(=S)S

Isomeric SMILES

C1CN(C(C(CC1[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2)C(=S)S

InChI

InChI=1S/C13H15N3O4S2/c17-15(18)10-6-7-14(13(21)22)12(11(8-10)16(19)20)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,21,22)