4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-3-nitro-benzenesulfonic acid

Systemtic Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-3-nitro-benzenesulfonic acid Openeye Name: 4-(4,5-diphenyloxazol-2-yl)sulfanyl-3-nitro-benzenesulfonic acid CAS Name: 4-[(4,5-diphenyl-2-oxazolyl)thio]-3-nitrobenzenesulfonic acid IUPAC Name: 4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrobenzenesulfonic acid Traditional Name: 4-[(4,5-diphenyloxazol-2-yl)thio]-3-nitro-besylic acid Formula: C21H14N2O6S2 MolecularWeight: 454.47566

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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)S(=O)(=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)S(=O)(=O)O)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H14N2O6S2/c24-23(25)17-13-16(31(26,27)28)11-12-18(17)30-21-22-19(14-7-3-1-4-8-14)20(29-21)15-9-5-2-6-10-15/h1-13H,(H,26,27,28)