trisodium 9,10-bis(oxidanylidene)anthracene-2-carboxylate sulfate

Systemtic Name: trisodium 9,10-bis(oxidanylidene)anthracene-2-carboxylate sulfate Openeye Name: trisodium 9,10-dioxoanthracene-2-carboxylate sulfate CAS Name: trisodium 9,10-dioxo-2-anthracenecarboxylate sulfate IUPAC Name: trisodium 9,10-dioxoanthracene-2-carboxylate sulfate Traditional Name: trisodium 9,10-diketoanthracene-2-carboxylate sulfate Formula: C15H7Na3O8S MolecularWeight: 416.24559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-].[O-]S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C15H8O4.3Na.H2O4S/c16-13-9-3-1-2-4-10(9)14(17)12-7-8(15(18)19)5-6-11(12)13;;;;1-5(2,3)4/h1-7H,(H,18,19);;;;(H2,1,2,3,4)/q;3*+1;/p-3