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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)S(=O)(=O)O)C(=O)NC1=O

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)S(=O)(=O)O)C(=O)NC1=O

InChI

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