bis[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 4,6-dimethoxybenzene-1,3-disulfonate

Systemtic Name: bis[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 4,6-dimethoxybenzene-1,3-disulfonate Openeye Name: bis(1,3-dioxobenzo[de]isoquinolin-2-yl) 4,6-dimethoxybenzene-1,3-disulfonate CAS Name: 4,6-dimethoxybenzene-1,3-disulfonic acid bis(1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: bis(1,3-dioxobenzo[de]isoquinolin-2-yl) 4,6-dimethoxybenzene-1,3-disulfonate Traditional Name: 4,6-dimethoxybenzene-1,3-disulfonic acid bis(1,3-diketobenzo[de]isoquinolin-2-yl) ester Formula: C32H20N2O12S2 MolecularWeight: 688.6374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)ON5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1S(=O)(=O)ON2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)ON5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O)OC

InChI

InChI=1S/C32H20N2O12S2/c1-43-23-15-24(44-2)26(48(41,42)46-34-31(37)21-13-5-9-18-10-6-14-22(28(18)21)32(34)38)16-25(23)47(39,40)45-33-29(35)19-11-3-7-17-8-4-12-20(27(17)19)30(33)36/h3-16H,1-2H3