4-[6,7-bis(bromanyl)-1,1-bis(oxidanylidene)-3-[2,3,4-tris(oxidanyl)phenyl]-2,1$l^{6}-benzoxathiol-3-yl]benzene-1,2,3-triol

Systemtic Name: 4-[6,7-bis(bromanyl)-1,1-bis(oxidanylidene)-3-[2,3,4-tris(oxidanyl)phenyl]-2,1$l^{6}-benzoxathiol-3-yl]benzene-1,2,3-triol Openeye Name: 4-[6,7-dibromo-1,1-dioxo-3-(2,3,4-trihydroxyphenyl)-2,1$l^{6}-benzoxathiol-3-yl]benzene-1,2,3-triol CAS Name: 4-[6,7-dibromo-1,1-dioxo-3-(2,3,4-trihydroxyphenyl)-2,1$l^{6}-benzoxathiol-3-yl]benzene-1,2,3-triol IUPAC Name: 4-[6,7-dibromo-1,1-dioxo-3-(2,3,4-trihydroxyphenyl)-2,1$l^{6}-benzoxathiol-3-yl]benzene-1,2,3-triol Traditional Name: 4-[6,7-dibromo-1,1-diketo-3-(2,3,4-trihydroxyphenyl)-2,1$l^{6}-benzoxathiol-3-yl]pyrogallol Formula: C19H12Br2O9S MolecularWeight: 576.16618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C2(C3=C(C(=C(C=C3)Br)Br)S(=O)(=O)O2)C4=C(C(=C(C=C4)O)O)O)O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1C2(C3=C(C(=C(C=C3)Br)Br)S(=O)(=O)O2)C4=C(C(=C(C=C4)O)O)O)O)O)O

InChI

InChI=1S/C19H12Br2O9S/c20-10-4-1-9-18(13(10)21)31(28,29)30-19(9,7-2-5-11(22)16(26)14(7)24)8-3-6-12(23)17(27)15(8)25/h1-6,22-27H