4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dinitro-benzoate

Systemtic Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dinitro-benzoate Openeye Name: 4-(4,5-diphenyloxazol-2-yl)sulfanyl-3,5-dinitro-benzoate CAS Name: 4-[(4,5-diphenyl-2-oxazolyl)thio]-3,5-dinitrobenzoate IUPAC Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-3,5-dinitrobenzoate Traditional Name: 4-[(4,5-diphenyloxazol-2-yl)thio]-3,5-dinitro-benzoate Formula: C22H12N3O7S- MolecularWeight: 462.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(OC(=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(OC(=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H13N3O7S/c26-21(27)15-11-16(24(28)29)20(17(12-15)25(30)31)33-22-23-18(13-7-3-1-4-8-13)19(32-22)14-9-5-2-6-10-14/h1-12H,(H,26,27)/p-1