3-tert-butyl-2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonic acid

Systemtic Name: 3-tert-butyl-2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonic acid Openeye Name: 3-tert-butyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid CAS Name: 3-tert-butyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid IUPAC Name: 3-tert-butyl-2,4-dioxo-1H-quinazoline-6-sulfonic acid Traditional Name: 3-tert-butyl-2,4-diketo-1H-quinazoline-6-sulfonic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C2=C(C=CC(=C2)S(=O)(=O)O)NC1=O

Isomeric SMILES

CC(C)(C)N1C(=O)C2=C(C=CC(=C2)S(=O)(=O)O)NC1=O

InChI

InChI=1S/C12H14N2O5S/c1-12(2,3)14-10(15)8-6-7(20(17,18)19)4-5-9(8)13-11(14)16/h4-6H,1-3H3,(H,13,16)(H,17,18,19)