7-[[5-[(6,8-disulfonaphthalen-2-yl)sulfamoyl]naphthalen-1-yl]sulfonylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[5-[(6,8-disulfonaphthalen-2-yl)sulfamoyl]naphthalen-1-yl]sulfonylamino]naphthalene-1,3-disulfonic acid Openeye Name: 7-[[5-[(6,8-disulfo-2-naphthyl)sulfamoyl]-1-naphthyl]sulfonylamino]naphthalene-1,3-disulfonic acid CAS Name: 7-[[5-[(6,8-disulfo-2-naphthalenyl)sulfamoyl]-1-naphthalenyl]sulfonylamino]naphthalene-1,3-disulfonic acid IUPAC Name: 7-[[5-[(6,8-disulfonaphthalen-2-yl)sulfamoyl]naphthalen-1-yl]sulfonylamino]naphthalene-1,3-disulfonic acid Traditional Name: 7-[[5-[(6,8-disulfo-2-naphthyl)sulfamoyl]-1-naphthyl]sulfonylamino]naphthalene-1,3-disulfonic acid Formula: C30H22N2O16S6 MolecularWeight: 858.88948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2S(=O)(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC=C2S(=O)(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H22N2O16S6/c33-49(34,31-19-9-7-17-11-21(51(37,38)39)15-29(25(17)13-19)53(43,44)45)27-5-1-3-23-24(27)4-2-6-28(23)50(35,36)32-20-10-8-18-12-22(52(40,41)42)16-30(26(18)14-20)54(46,47)48/h1-16,31-32H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)