8-tert-butylsulfanyl-5,7-dinitro-quinoline

Systemtic Name: 8-tert-butylsulfanyl-5,7-dinitro-quinoline Openeye Name: 8-tert-butylsulfanyl-5,7-dinitro-quinoline CAS Name: 8-(tert-butylthio)-5,7-dinitroquinoline IUPAC Name: 8-tert-butylsulfanyl-5,7-dinitroquinoline Traditional Name: 8-(tert-butylthio)-5,7-dinitro-quinoline Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C=C(C2=C1N=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SC1=C(C=C(C2=C1N=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4S/c1-13(2,3)21-12-10(16(19)20)7-9(15(17)18)8-5-4-6-14-11(8)12/h4-7H,1-3H3