sodium 4-oxidanylidene-1H-quinazoline-6-sulfonate

Systemtic Name: sodium 4-oxidanylidene-1H-quinazoline-6-sulfonate Openeye Name: sodium 4-oxo-1H-quinazoline-6-sulfonate CAS Name: sodium 4-oxo-1H-quinazoline-6-sulfonate IUPAC Name: sodium 4-oxo-1H-quinazoline-6-sulfonate Traditional Name: sodium 4-keto-1H-quinazoline-6-sulfonate Formula: C8H5N2NaO4S MolecularWeight: 248.19107

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)N=CN2.[Na+]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])C(=O)N=CN2.[Na+]

InChI

InChI=1S/C8H6N2O4S.Na/c11-8-6-3-5(15(12,13)14)1-2-7(6)9-4-10-8;/h1-4H,(H,9,10,11)(H,12,13,14);/q;+1/p-1