sodium 5-chloranyl-2-[4-chloranyl-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]benzenesulfonate

Systemtic Name: sodium 5-chloranyl-2-[4-chloranyl-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]benzenesulfonate Openeye Name: sodium 5-chloro-2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]benzenesulfonate CAS Name: sodium 5-chloro-2-[4-chloro-2-[[(3,4-dichloroanilino)-oxomethyl]amino]phenoxy]benzenesulfonate IUPAC Name: sodium 5-chloro-2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]benzenesulfonate Traditional Name: sodium 5-chloro-2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]besylate Formula: C19H11Cl4N2NaO5S MolecularWeight: 544.16781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC2=C(C=CC(=C2)Cl)OC3=C(C=C(C=C3)Cl)S(=O)(=O)[O-])Cl)Cl.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC2=C(C=CC(=C2)Cl)OC3=C(C=C(C=C3)Cl)S(=O)(=O)[O-])Cl)Cl.[Na+]

InChI

InChI=1S/C19H12Cl4N2O5S.Na/c20-10-1-5-16(30-17-6-2-11(21)8-18(17)31(27,28)29)15(7-10)25-19(26)24-12-3-4-13(22)14(23)9-12;/h1-9H,(H2,24,25,26)(H,27,28,29);/q;+1/p-1