2-[7-azanyl-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]benzene-1,4-disulfonic acid

Systemtic Name: 2-[7-azanyl-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]benzene-1,4-disulfonic acid Openeye Name: 2-(7-amino-2,3-dioxo-4H-quinoxalin-1-yl)benzene-1,4-disulfonic acid CAS Name: 2-(7-amino-2,3-dioxo-4H-quinoxalin-1-yl)benzene-1,4-disulfonic acid IUPAC Name: 2-(7-amino-2,3-dioxo-4H-quinoxalin-1-yl)benzene-1,4-disulfonic acid Traditional Name: 2-(7-amino-2,3-diketo-4H-quinoxalin-1-yl)benzene-1,4-disulfonic acid Formula: C14H11N3O8S2 MolecularWeight: 413.38244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)N(C(=O)C(=O)N2)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N)N(C(=O)C(=O)N2)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H11N3O8S2/c15-7-1-3-9-10(5-7)17(14(19)13(18)16-9)11-6-8(26(20,21)22)2-4-12(11)27(23,24)25/h1-6H,15H2,(H,16,18)(H,20,21,22)(H,23,24,25)