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

Systemtic Name: 2,4-bis(oxidanylidene)-5-propyl-1H-quinazoline-7-sulfonic acid Openeye Name: 2,4-dioxo-5-propyl-1H-quinazoline-7-sulfonic acid CAS Name: 2,4-dioxo-5-propyl-1H-quinazoline-7-sulfonic acid IUPAC Name: 2,4-dioxo-5-propyl-1H-quinazoline-7-sulfonic acid Traditional Name: 2,4-diketo-5-propyl-1H-quinazoline-7-sulfonic acid Formula: C11H12N2O5S MolecularWeight: 284.28838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC2=C1C(=O)NC(=O)N2)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=CC2=C1C(=O)NC(=O)N2)S(=O)(=O)O

InChI

InChI=1S/C11H12N2O5S/c1-2-3-6-4-7(19(16,17)18)5-8-9(6)10(14)13-11(15)12-8/h4-5H,2-3H2,1H3,(H,16,17,18)(H2,12,13,14,15)