dipotassium 8-azanyl-5-bromanyl-9,10-bis(oxidanylidene)anthracene-1,7-disulfonate

Systemtic Name: dipotassium 8-azanyl-5-bromanyl-9,10-bis(oxidanylidene)anthracene-1,7-disulfonate Openeye Name: dipotassium 8-amino-5-bromo-9,10-dioxo-anthracene-1,7-disulfonate CAS Name: dipotassium 8-amino-5-bromo-9,10-dioxoanthracene-1,7-disulfonate IUPAC Name: dipotassium 8-amino-5-bromo-9,10-dioxoanthracene-1,7-disulfonate Traditional Name: dipotassium 8-amino-5-bromo-9,10-diketo-anthracene-1,7-disulfonate Formula: C14H6BrK2NO8S2 MolecularWeight: 538.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C(=CC(=C3C2=O)Br)S(=O)(=O)[O-])N.[K+].[K+]

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)[O-])C(=O)C3=C(C(=CC(=C3C2=O)Br)S(=O)(=O)[O-])N.[K+].[K+]

InChI

InChI=1S/C14H8BrNO8S2.2K/c15-6-4-8(26(22,23)24)12(16)11-10(6)13(17)5-2-1-3-7(25(19,20)21)9(5)14(11)18;;/h1-4H,16H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2