(4-tert-butyl-2-methyl-phenyl) 2,3-bis(oxidanylidene)-1,4-dihydroquinoxaline-6-sulfonate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 2,3-bis(oxidanylidene)-1,4-dihydroquinoxaline-6-sulfonate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonate CAS Name: 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonate Traditional Name: 2,3-diketo-1,4-dihydroquinoxaline-6-sulfonic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3

InChI

InChI=1S/C19H20N2O5S/c1-11-9-12(19(2,3)4)5-8-16(11)26-27(24,25)13-6-7-14-15(10-13)21-18(23)17(22)20-14/h5-10H,1-4H3,(H,20,22)(H,21,23)