sodium 4a,5,11a,12-tetrahydroquinoxalino[3,2-b]phenazine-2,9-disulfonic acid

Systemtic Name: sodium 4a,5,11a,12-tetrahydroquinoxalino[3,2-b]phenazine-2,9-disulfonic acid Openeye Name: sodium 4a,5,11a,12-tetrahydroquinoxalino[3,2-b]phenazine-2,9-disulfonic acid CAS Name: sodium 4a,5,11a,12-tetrahydroquinoxalino[3,2-b]phenazine-2,9-disulfonic acid IUPAC Name: sodium 4a,5,11a,12-tetrahydroquinoxalino[3,2-b]phenazine-2,9-disulfonic acid Traditional Name: sodium 4a,5,11a,12-tetrahydroquinoxalino[3,2-b]phenazine-2,9-disulfonic acid Formula: C18H14N4NaO6S2+ MolecularWeight: 469.44673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=NC3=CC4=C(C=C3NC21)N=C5C=C(C=CC5N4)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC2=NC3=CC4=C(C=C3NC21)N=C5C=C(C=CC5N4)S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C18H14N4O6S2.Na/c23-29(24,25)9-1-3-11-13(5-9)21-17-8-16-18(7-15(17)19-11)22-14-6-10(30(26,27)28)2-4-12(14)20-16;/h1-8,11-12,19-20H,(H,23,24,25)(H,26,27,28);/q;+1