[4-(4-methylphenyl)phenyl] 2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonate

Systemtic Name: [4-(4-methylphenyl)phenyl] 2,4-bis(oxidanylidene)-1H-quinazoline-6-sulfonate Openeye Name: [4-(p-tolyl)phenyl] 2,4-dioxo-1H-quinazoline-6-sulfonate CAS Name: 2,4-dioxo-1H-quinazoline-6-sulfonic acid [4-(4-methylphenyl)phenyl] ester IUPAC Name: [4-(4-methylphenyl)phenyl] 2,4-dioxo-1H-quinazoline-6-sulfonate Traditional Name: 2,4-diketo-1H-quinazoline-6-sulfonic acid [4-(p-tolyl)phenyl] ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)NC4=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)NC4=O

InChI

InChI=1S/C21H16N2O5S/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)28-29(26,27)17-10-11-19-18(12-17)20(24)23-21(25)22-19/h2-12H,1H3,(H2,22,23,24,25)