2,5-bis(oxidanyl)benzene-1,4-disulfonic acid; 4-(4-sulfophenyl)sulfonylbenzenesulfonic acid

Systemtic Name: 2,5-bis(oxidanyl)benzene-1,4-disulfonic acid; 4-(4-sulfophenyl)sulfonylbenzenesulfonic acid Openeye Name: 2,5-dihydroxybenzene-1,4-disulfonic acid; 4-(4-sulfophenyl)sulfonylbenzenesulfonic acid CAS Name: 2,5-dihydroxybenzene-1,4-disulfonic acid; 4-(4-sulfophenyl)sulfonylbenzenesulfonic acid IUPAC Name: 2,5-dihydroxybenzene-1,4-disulfonic acid; 4-(4-sulfophenyl)sulfonylbenzenesulfonic acid Traditional Name: 2,5-dihydroxybenzene-1,4-disulfonic acid; 4-(4-sulfophenyl)sulfonylbesylic acid Formula: C18H16O16S5 MolecularWeight: 648.63504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O.C1=C(C(=CC(=C1S(=O)(=O)O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O.C1=C(C(=CC(=C1S(=O)(=O)O)O)S(=O)(=O)O)O

InChI

InChI=1S/C12H10O8S3.C6H6O8S2/c13-21(14,9-1-5-11(6-2-9)22(15,16)17)10-3-7-12(8-4-10)23(18,19)20;7-3-1-5(15(9,10)11)4(8)2-6(3)16(12,13)14/h1-8H,(H,15,16,17)(H,18,19,20);1-2,7-8H,(H,9,10,11)(H,12,13,14)