sodium bis[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]azanium sulfite

Systemtic Name: sodium bis[4-azanyl-9,10-bis(oxidanylidene)anthracen-1-yl]azanium sulfite Openeye Name: sodium bis(4-amino-9,10-dioxo-1-anthryl)ammonium sulfite CAS Name: sodium bis(4-amino-9,10-dioxo-1-anthracenyl)ammonium sulfite IUPAC Name: sodium bis(4-amino-9,10-dioxoanthracen-1-yl)azanium sulfite Traditional Name: sodium bis(4-amino-9,10-diketo-1-anthryl)ammonium sulfite Formula: C28H18N3NaO7S MolecularWeight: 563.51319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)[NH2+]C4=C5C(=C(C=C4)N)C(=O)C6=CC=CC=C6C5=O)N.[O-]S(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)[NH2+]C4=C5C(=C(C=C4)N)C(=O)C6=CC=CC=C6C5=O)N.[O-]S(=O)[O-].[Na+]

InChI

InChI=1S/C28H17N3O4.Na.H2O3S/c29-17-9-11-19(23-21(17)25(32)13-5-1-3-7-15(13)27(23)34)31-20-12-10-18(30)22-24(20)28(35)16-8-4-2-6-14(16)26(22)33;;1-4(2)3/h1-12,31H,29-30H2;;(H2,1,2,3)/q;+1;/p-1