disodium 5-azanyl-8-bromanyl-9,10-bis(oxidanylidene)anthracene-1,6-disulfonate

Systemtic Name: disodium 5-azanyl-8-bromanyl-9,10-bis(oxidanylidene)anthracene-1,6-disulfonate Openeye Name: disodium 5-amino-8-bromo-9,10-dioxo-anthracene-1,6-disulfonate CAS Name: disodium 5-amino-8-bromo-9,10-dioxoanthracene-1,6-disulfonate IUPAC Name: disodium 5-amino-8-bromo-9,10-dioxoanthracene-1,6-disulfonate Traditional Name: disodium 5-amino-8-bromo-9,10-diketo-anthracene-1,6-disulfonate Formula: C14H6BrNNa2O8S2 MolecularWeight: 506.21288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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