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

Systemtic Name: disodium 4-azanyl-1,3-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: disodium 4-amino-1,3-dihydroxy-9,10-dioxo-anthracene-2-sulfonate CAS Name: disodium 4-amino-1,3-dihydroxy-9,10-dioxo-2-anthracenesulfonate IUPAC Name: disodium 4-amino-1,3-dihydroxy-9,10-dioxoanthracene-2-sulfonate Traditional Name: disodium 4-amino-1,3-dihydroxy-9,10-diketo-anthracene-2-sulfonate Formula: C28H16N2Na2O14S2 MolecularWeight: 714.54118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)O)S(=O)(=O)[O-])O.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)O)S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)O)S(=O)(=O)[O-])O.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)O)S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/2C14H9NO7S.2Na/c2*15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;;/h2*1-4,18-19H,15H2,(H,20,21,22);;/q;;2*+1/p-2