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

Systemtic Name: 2-[7-azanyl-2,4-bis(oxidanylidene)-3H-quinoxalin-4-ium-1-yl]benzene-1,4-disulfonic acid Openeye Name: 2-(7-amino-2,4-dioxo-3H-quinoxalin-4-ium-1-yl)benzene-1,4-disulfonic acid CAS Name: 2-(7-amino-2,4-dioxo-3H-quinoxalin-4-ium-1-yl)benzene-1,4-disulfonic acid IUPAC Name: 2-(7-amino-2,4-dioxo-3H-quinoxalin-4-ium-1-yl)benzene-1,4-disulfonic acid Traditional Name: 2-(7-amino-2,4-diketo-3H-quinoxalin-4-ium-1-yl)benzene-1,4-disulfonic acid Formula: C14H12N3O8S2+ MolecularWeight: 414.39038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C([N+]1=O)C=CC(=C2)N)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C(=O)N(C2=C([N+]1=O)C=CC(=C2)N)C3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H11N3O8S2/c15-8-1-3-10-11(5-8)17(14(18)7-16(10)19)12-6-9(26(20,21)22)2-4-13(12)27(23,24)25/h1-6H,7H2,(H3-,15,19,20,21,22,23,24,25)/p+1