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

Systemtic Name: 2-chloranyl-5-[(4-chloranyl-3-sulfo-phenyl)carbamoylamino]benzenesulfonic acid Openeye Name: 2-chloro-5-[(4-chloro-3-sulfo-phenyl)carbamoylamino]benzenesulfonic acid CAS Name: 2-chloro-5-[[(4-chloro-3-sulfoanilino)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-chloro-5-[(4-chloro-3-sulfophenyl)carbamoylamino]benzenesulfonic acid Traditional Name: 2-chloro-5-[(4-chloro-3-sulfo-phenyl)carbamoylamino]besylic acid Formula: C13H10Cl2N2O7S2 MolecularWeight: 441.2637

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)O)S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)O)S(=O)(=O)O)Cl

InChI

InChI=1S/C13H10Cl2N2O7S2/c14-9-3-1-7(5-11(9)25(19,20)21)16-13(18)17-8-2-4-10(15)12(6-8)26(22,23)24/h1-6H,(H2,16,17,18)(H,19,20,21)(H,22,23,24)