4-oxidanyl-3-[[4-[(2-oxidanyl-5-sulfo-phenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonic acid

Systemtic Name: 4-oxidanyl-3-[[4-[(2-oxidanyl-5-sulfo-phenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonic acid Openeye Name: 4-hydroxy-3-[[4-[(2-hydroxy-5-sulfo-phenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid CAS Name: 4-hydroxy-3-[[[4-[(2-hydroxy-5-sulfoanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 4-hydroxy-3-[[4-[(2-hydroxy-5-sulfophenyl)carbamoyl]benzoyl]amino]benzenesulfonic acid Traditional Name: 4-hydroxy-3-[[4-[(2-hydroxy-5-sulfo-phenyl)carbamoyl]benzoyl]amino]besylic acid Formula: C20H16N2O10S2 MolecularWeight: 508.47844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)O)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)O)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)O)O

InChI

InChI=1S/C20H16N2O10S2/c23-17-7-5-13(33(27,28)29)9-15(17)21-19(25)11-1-2-12(4-3-11)20(26)22-16-10-14(34(30,31)32)6-8-18(16)24/h1-10,23-24H,(H,21,25)(H,22,26)(H,27,28,29)(H,30,31,32)