4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dinitro-benzoate

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dinitro-benzoate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dinitro-benzoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3,5-dinitrobenzoate IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dinitrobenzoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-3,5-dinitro-benzoate Formula: C14H6N3O6S2- MolecularWeight: 376.34394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H7N3O6S2/c18-13(19)7-5-9(16(20)21)12(10(6-7)17(22)23)25-14-15-8-3-1-2-4-11(8)24-14/h1-6H,(H,18,19)/p-1