disodium 9-azanyl-7-phenyl-5-phenylazanyl-benzo[a]phenazin-7-ium-4,10-disulfonate

Systemtic Name: disodium 9-azanyl-7-phenyl-5-phenylazanyl-benzo[a]phenazin-7-ium-4,10-disulfonate Openeye Name: disodium 9-amino-5-anilino-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonate CAS Name: disodium 9-amino-5-anilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate IUPAC Name: disodium 9-amino-5-anilino-7-phenylbenzo[a]phenazin-7-ium-4,10-disulfonate Traditional Name: disodium 9-amino-5-anilino-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonate Formula: C28H19N4Na2O6S2+ MolecularWeight: 617.5832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=[N+](C4=CC(=C(C=C4N=C3C5=C2C(=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])N)C6=CC=CC=C6.[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=[N+](C4=CC(=C(C=C4N=C3C5=C2C(=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])N)C6=CC=CC=C6.[Na+].[Na+]

InChI

InChI=1S/C28H20N4O6S2.2Na/c29-20-14-23-21(16-26(20)40(36,37)38)31-28-19-12-7-13-25(39(33,34)35)27(19)22(30-17-8-3-1-4-9-17)15-24(28)32(23)18-10-5-2-6-11-18;;/h1-16H,(H4,29,30,33,34,35,36,37,38);;/q;2*+1/p-1