tetrasodium 5-[[4-[(8-oxidanyl-3,6-disulfonato-naphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzene-1,3-dicarboxylate

Systemtic Name: tetrasodium 5-[[4-[(8-oxidanyl-3,6-disulfonato-naphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzene-1,3-dicarboxylate Openeye Name: tetrasodium 5-[[4-[(8-hydroxy-3,6-disulfonato-1-naphthyl)carbamoyl]phenyl]carbamoyl]benzene-1,3-dicarboxylate CAS Name: tetrasodium 5-[[4-[[(8-hydroxy-3,6-disulfonato-1-naphthalenyl)amino]-oxomethyl]anilino]-oxomethyl]benzene-1,3-dicarboxylate IUPAC Name: tetrasodium 5-[[4-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzene-1,3-dicarboxylate Traditional Name: tetrasodium 5-[[4-[(8-hydroxy-3,6-disulfonato-1-naphthyl)carbamoyl]phenyl]carbamoyl]isophthalate Formula: C26H14N2Na4O13S2 MolecularWeight: 718.48404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])NC(=O)C4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])NC(=O)C4=CC(=CC(=C4)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H18N2O13S2.4Na/c29-21-11-19(43(39,40)41)9-13-8-18(42(36,37)38)10-20(22(13)21)28-23(30)12-1-3-17(4-2-12)27-24(31)14-5-15(25(32)33)7-16(6-14)26(34)35;;;;/h1-11,29H,(H,27,31)(H,28,30)(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41);;;;/q;4*+1/p-4