4-(2-chloranylphenoxy)-3-[[2-(2-chloranylphenoxy)-5-sulfo-phenyl]carbamoylamino]benzenesulfonic acid

Systemtic Name: 4-(2-chloranylphenoxy)-3-[[2-(2-chloranylphenoxy)-5-sulfo-phenyl]carbamoylamino]benzenesulfonic acid Openeye Name: 4-(2-chlorophenoxy)-3-[[2-(2-chlorophenoxy)-5-sulfo-phenyl]carbamoylamino]benzenesulfonic acid CAS Name: 4-(2-chlorophenoxy)-3-[[[2-(2-chlorophenoxy)-5-sulfoanilino]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-(2-chlorophenoxy)-3-[[2-(2-chlorophenoxy)-5-sulfophenyl]carbamoylamino]benzenesulfonic acid Traditional Name: 4-(2-chlorophenoxy)-3-[[2-(2-chlorophenoxy)-5-sulfo-phenyl]carbamoylamino]besylic acid Formula: C25H18Cl2N2O9S2 MolecularWeight: 625.45442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=C(C=C(C=C2)S(=O)(=O)O)NC(=O)NC3=C(C=CC(=C3)S(=O)(=O)O)OC4=CC=CC=C4Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OC2=C(C=C(C=C2)S(=O)(=O)O)NC(=O)NC3=C(C=CC(=C3)S(=O)(=O)O)OC4=CC=CC=C4Cl)Cl

InChI

InChI=1S/C25H18Cl2N2O9S2/c26-17-5-1-3-7-21(17)37-23-11-9-15(39(31,32)33)13-19(23)28-25(30)29-20-14-16(40(34,35)36)10-12-24(20)38-22-8-4-2-6-18(22)27/h1-14H,(H2,28,29,30)(H,31,32,33)(H,34,35,36)