disodium 5-oxidanyl-9,10-bis(oxidanylidene)anthracene-1-sulfonate

Systemtic Name: disodium 5-oxidanyl-9,10-bis(oxidanylidene)anthracene-1-sulfonate Openeye Name: disodium 5-hydroxy-9,10-dioxo-anthracene-1-sulfonate CAS Name: disodium 5-hydroxy-9,10-dioxo-1-anthracenesulfonate IUPAC Name: disodium 5-hydroxy-9,10-dioxoanthracene-1-sulfonate Traditional Name: disodium 5-hydroxy-9,10-diketo-anthracene-1-sulfonate Formula: C28H14Na2O12S2 MolecularWeight: 652.5131

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-].C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-].C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C14H8O6S.2Na/c2*15-9-5-1-3-7-11(9)13(16)8-4-2-6-10(21(18,19)20)12(8)14(7)17;;/h2*1-6,15H,(H,18,19,20);;/q;;2*+1/p-2