2-methyl-4-oxidanylidene-3,6-diazabicyclo[3.3.1]nona-1(9),5,7-triene-2-sulfonic acid

Systemtic Name: 2-methyl-4-oxidanylidene-3,6-diazabicyclo[3.3.1]nona-1(9),5,7-triene-2-sulfonic acid Openeye Name: 2-methyl-4-oxo-3,6-diazabicyclo[3.3.1]nona-1(9),5,7-triene-2-sulfonic acid CAS Name: 2-methyl-4-oxo-3,6-diazabicyclo[3.3.1]nona-1(9),5,7-triene-2-sulfonic acid IUPAC Name: 2-methyl-4-oxo-3,6-diazabicyclo[3.3.1]nona-1(9),5,7-triene-2-sulfonic acid Traditional Name: 4-keto-2-methyl-3,6-diazabicyclo[3.3.1]nona-1(9),5,7-triene-2-sulfonic acid Formula: C8H8N2O4S MolecularWeight: 228.22512

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=NC=C2)C(=O)N1)S(=O)(=O)O

Isomeric SMILES

CC1(C2=CC(=NC=C2)C(=O)N1)S(=O)(=O)O

InChI

InChI=1S/C8H8N2O4S/c1-8(15(12,13)14)5-2-3-9-6(4-5)7(11)10-8/h2-4H,1H3,(H,10,11)(H,12,13,14)