(2R,3R)-5-diazonio-4-oxidanylidene-2,3-diphenyl-2,3-dihydro-1,4-oxathiin-6-olate

Systemtic Name: (2R,3R)-5-diazonio-4-oxidanylidene-2,3-diphenyl-2,3-dihydro-1,4-oxathiin-6-olate Openeye Name: (2R,3R)-5-diazonio-4-oxo-2,3-diphenyl-2,3-dihydro-1,4-oxathiin-6-olate CAS Name: (2R,3R)-5-diazonio-4-oxo-2,3-diphenyl-2,3-dihydro-1,4-oxathiin-6-olate IUPAC Name: (2R,3R)-5-diazonio-4-oxo-2,3-diphenyl-2,3-dihydro-1,4-oxathiin-6-olate Traditional Name: (2R,3R)-5-diazonio-4-keto-2,3-diphenyl-2,3-dihydro-1,4-oxathiin-6-olate Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(S(=O)C(=C(O2)[O-])[N+]#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](S(=O)C(=C(O2)[O-])[N+]#N)C3=CC=CC=C3

InChI

InChI=1S/C16H12N2O3S/c17-18-15-16(19)21-13(11-7-3-1-4-8-11)14(22(15)20)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-,22?/m1/s1