(4-butan-2-ylphenyl) 2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonate

Systemtic Name: (4-butan-2-ylphenyl) 2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonate Openeye Name: (4-sec-butylphenyl) 2,4-dioxo-1H-quinazoline-6-sulfonate CAS Name: 2,4-dioxo-1H-quinazoline-6-sulfonic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) 2,4-dioxo-1H-quinazoline-6-sulfonate Traditional Name: 2,4-diketo-1H-quinazoline-6-sulfonic acid (4-sec-butylphenyl) ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)NC3=O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)NC3=O

InChI

InChI=1S/C18H18N2O5S/c1-3-11(2)12-4-6-13(7-5-12)25-26(23,24)14-8-9-16-15(10-14)17(21)20-18(22)19-16/h4-11H,3H2,1-2H3,(H2,19,20,21,22)