5-sulfanyl-2-[(2-sulfophenyl)carbamoylamino]benzenesulfonic acid

Systemtic Name: 5-sulfanyl-2-[(2-sulfophenyl)carbamoylamino]benzenesulfonic acid Openeye Name: 5-sulfanyl-2-[(2-sulfophenyl)carbamoylamino]benzenesulfonic acid CAS Name: 5-mercapto-2-[[oxo-(2-sulfoanilino)methyl]amino]benzenesulfonic acid IUPAC Name: 5-sulfanyl-2-[(2-sulfophenyl)carbamoylamino]benzenesulfonic acid Traditional Name: 5-mercapto-2-[(2-sulfophenyl)carbamoylamino]besylic acid Formula: C13H12N2O7S3 MolecularWeight: 404.43858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)S)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)S)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H12N2O7S3/c16-13(14-9-3-1-2-4-11(9)24(17,18)19)15-10-6-5-8(23)7-12(10)25(20,21)22/h1-7,23H,(H2,14,15,16)(H,17,18,19)(H,20,21,22)