[3-(1,2,3,4-tetrazol-1-yl)phenyl] 2-oxidanylidenechromene-6-sulfonate

Systemtic Name: [3-(1,2,3,4-tetrazol-1-yl)phenyl] 2-oxidanylidenechromene-6-sulfonate Openeye Name: [3-(tetrazol-1-yl)phenyl] 2-oxochromene-6-sulfonate CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid [3-(1-tetrazolyl)phenyl] ester IUPAC Name: [3-(tetrazol-1-yl)phenyl] 2-oxochromene-6-sulfonate Traditional Name: 2-ketochromene-6-sulfonic acid [3-(tetrazol-1-yl)phenyl] ester Formula: C16H10N4O5S MolecularWeight: 370.3394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)N4C=NN=N4

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC3=C(C=C2)OC(=O)C=C3)N4C=NN=N4

InChI

InChI=1S/C16H10N4O5S/c21-16-7-4-11-8-14(5-6-15(11)24-16)26(22,23)25-13-3-1-2-12(9-13)20-10-17-18-19-20/h1-10H