1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-3-(4-sulfophenoxy)anthracene-2-sulfonic acid

Systemtic Name: 1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-3-(4-sulfophenoxy)anthracene-2-sulfonic acid Openeye Name: 1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)anthracene-2-sulfonic acid CAS Name: 1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-2-anthracenesulfonic acid IUPAC Name: 1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)anthracene-2-sulfonic acid Traditional Name: 1,4-dihydroxy-9,10-diketo-3-(4-sulfophenoxy)anthracene-2-sulfonic acid Formula: C20H12O11S2 MolecularWeight: 492.43268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3O)OC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3O)OC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C20H12O11S2/c21-15-11-3-1-2-4-12(11)16(22)14-13(15)17(23)19(20(18(14)24)33(28,29)30)31-9-5-7-10(8-6-9)32(25,26)27/h1-8,23-24H,(H,25,26,27)(H,28,29,30)