3,5-dinitro-4-quinolin-8-ylsulfanyl-benzoic acid

Systemtic Name: 3,5-dinitro-4-quinolin-8-ylsulfanyl-benzoic acid Openeye Name: 3,5-dinitro-4-(8-quinolylsulfanyl)benzoic acid CAS Name: 3,5-dinitro-4-(8-quinolinylthio)benzoic acid IUPAC Name: 3,5-dinitro-4-quinolin-8-ylsulfanylbenzoic acid Traditional Name: 3,5-dinitro-4-(8-quinolylthio)benzoic acid Formula: C16H9N3O6S MolecularWeight: 371.32416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C16H9N3O6S/c20-16(21)10-7-11(18(22)23)15(12(8-10)19(24)25)26-13-5-1-3-9-4-2-6-17-14(9)13/h1-8H,(H,20,21)