5-tert-butyl-2,4-bis(oxidanylidene)-1H-quinazoline-7-sulfonic acid

Systemtic Name: 5-tert-butyl-2,4-bis(oxidanylidene)-1H-quinazoline-7-sulfonic acid Openeye Name: 5-tert-butyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid CAS Name: 5-tert-butyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid IUPAC Name: 5-tert-butyl-2,4-dioxo-1H-quinazoline-7-sulfonic acid Traditional Name: 5-tert-butyl-2,4-diketo-1H-quinazoline-7-sulfonic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC2=C1C(=O)NC(=O)N2)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC2=C1C(=O)NC(=O)N2)S(=O)(=O)O

InChI

InChI=1S/C12H14N2O5S/c1-12(2,3)7-4-6(20(17,18)19)5-8-9(7)10(15)14-11(16)13-8/h4-5H,1-3H3,(H,17,18,19)(H2,13,14,15,16)