7-[7-azanyl-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 7-[7-azanyl-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]naphthalene-1,3,5-trisulfonic acid Openeye Name: 7-(7-amino-2,3-dioxo-4H-quinoxalin-1-yl)naphthalene-1,3,5-trisulfonic acid CAS Name: 7-(7-amino-2,3-dioxo-4H-quinoxalin-1-yl)naphthalene-1,3,5-trisulfonic acid IUPAC Name: 7-(7-amino-2,3-dioxo-4H-quinoxalin-1-yl)naphthalene-1,3,5-trisulfonic acid Traditional Name: 7-(7-amino-2,3-diketo-4H-quinoxalin-1-yl)naphthalene-1,3,5-trisulfonic acid Formula: C18H13N3O11S3 MolecularWeight: 543.50432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)N(C(=O)C(=O)N2)C3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N)N(C(=O)C(=O)N2)C3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H13N3O11S3/c19-8-1-2-13-14(3-8)21(18(23)17(22)20-13)9-4-11-12(15(5-9)34(27,28)29)6-10(33(24,25)26)7-16(11)35(30,31)32/h1-7H,19H2,(H,20,22)(H,24,25,26)(H,27,28,29)(H,30,31,32)