tetrasodium 4-[[3-[[3-[(2,4-disulfonatophenyl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]benzene-1,3-disulfonate

Systemtic Name: tetrasodium 4-[[3-[[3-[(2,4-disulfonatophenyl)carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]benzene-1,3-disulfonate Openeye Name: tetrasodium 4-[[3-[[3-[(2,4-disulfonatophenyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzene-1,3-disulfonate CAS Name: tetrasodium 4-[[[3-[[[3-[(2,4-disulfonatoanilino)-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]benzene-1,3-disulfonate IUPAC Name: tetrasodium 4-[[3-[[3-[(2,4-disulfonatophenyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzene-1,3-disulfonate Traditional Name: tetrasodium 4-[[3-[[3-[(2,4-disulfonatophenyl)carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzene-1,3-disulfonate Formula: C27H18N4Na4O15S4 MolecularWeight: 858.6687

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)NC4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)NC4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H22N4O15S4.4Na/c32-25(30-21-9-7-19(47(35,36)37)13-23(21)49(41,42)43)15-3-1-5-17(11-15)28-27(34)29-18-6-2-4-16(12-18)26(33)31-22-10-8-20(48(38,39)40)14-24(22)50(44,45)46;;;;/h1-14H,(H,30,32)(H,31,33)(H2,28,29,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4