[4-(3-oxidanylidenebutyl)phenyl] 2,3-bis(oxidanylidene)-1,4-dihydroquinoxaline-6-sulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2,3-bis(oxidanylidene)-1,4-dihydroquinoxaline-6-sulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonate CAS Name: 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonate Traditional Name: 2,3-diketo-1,4-dihydroquinoxaline-6-sulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C(=O)N3

InChI

InChI=1S/C18H16N2O6S/c1-11(21)2-3-12-4-6-13(7-5-12)26-27(24,25)14-8-9-15-16(10-14)20-18(23)17(22)19-15/h4-10H,2-3H2,1H3,(H,19,22)(H,20,23)