sodium (4-oxidanylidene-1H-quinazolin-2-yl)methanesulfonate

Systemtic Name: sodium (4-oxidanylidene-1H-quinazolin-2-yl)methanesulfonate Openeye Name: sodium (4-oxo-1H-quinazolin-2-yl)methanesulfonate CAS Name: sodium (4-oxo-1H-quinazolin-2-yl)methanesulfonate IUPAC Name: sodium (4-oxo-1H-quinazolin-2-yl)methanesulfonate Traditional Name: sodium (4-keto-1H-quinazolin-2-yl)methanesulfonate Formula: C9H7N2NaO4S MolecularWeight: 262.21765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H8N2O4S.Na/c12-9-6-3-1-2-4-7(6)10-8(11-9)5-16(13,14)15;/h1-4H,5H2,(H,10,11,12)(H,13,14,15);/q;+1/p-1