sodium 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]benzene-1,3-disulfonate

Systemtic Name: sodium 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]benzene-1,3-disulfonate Openeye Name: sodium 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]benzene-1,3-disulfonate CAS Name: sodium 4-[(7-phenyl-5-benzo[a]phenazin-7-iumyl)amino]benzene-1,3-disulfonate IUPAC Name: sodium 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]benzene-1,3-disulfonate Traditional Name: sodium 4-[(7-phenylbenzo[a]phenazin-7-ium-5-yl)amino]benzene-1,3-disulfonate Formula: C28H18N3NaO6S2 MolecularWeight: 579.57879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C3C=C(C4=CC=CC=C4C3=NC5=CC=CC=C52)NC6=C(C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C3C=C(C4=CC=CC=C4C3=NC5=CC=CC=C52)NC6=C(C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H19N3O6S2.Na/c32-38(33,34)19-14-15-23(27(16-19)39(35,36)37)29-24-17-26-28(21-11-5-4-10-20(21)24)30-22-12-6-7-13-25(22)31(26)18-8-2-1-3-9-18;/h1-17H,(H2,32,33,34,35,36,37);/q;+1/p-1