disodium 1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-3-(4-sulfonatophenoxy)anthracene-2-sulfonate

Systemtic Name: disodium 1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)-3-(4-sulfonatophenoxy)anthracene-2-sulfonate Openeye Name: disodium 1,4-dihydroxy-9,10-dioxo-3-(4-sulfonatophenoxy)anthracene-2-sulfonate CAS Name: disodium 1,4-dihydroxy-9,10-dioxo-3-(4-sulfonatophenoxy)-2-anthracenesulfonate IUPAC Name: disodium 1,4-dihydroxy-9,10-dioxo-3-(4-sulfonatophenoxy)anthracene-2-sulfonate Traditional Name: disodium 1,4-dihydroxy-9,10-diketo-3-(4-sulfonatophenoxy)anthracene-2-sulfonate Formula: C20H10Na2O11S2 MolecularWeight: 536.39634

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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.[Na+].[Na+]

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.[Na+].[Na+]

InChI

InChI=1S/C20H12O11S2.2Na/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);;/q;2*+1/p-2