disodium 3-[2-(4-sulfonatophenyl)-1,3-oxazol-5-yl]benzenesulfonate

Systemtic Name: disodium 3-[2-(4-sulfonatophenyl)-1,3-oxazol-5-yl]benzenesulfonate Openeye Name: disodium 3-[2-(4-sulfonatophenyl)oxazol-5-yl]benzenesulfonate CAS Name: disodium 3-[2-(4-sulfonatophenyl)-5-oxazolyl]benzenesulfonate IUPAC Name: disodium 3-[2-(4-sulfonatophenyl)-1,3-oxazol-5-yl]benzenesulfonate Traditional Name: disodium 3-[2-(4-sulfonatophenyl)oxazol-5-yl]besylate Formula: C15H9NNa2O7S2 MolecularWeight: 425.344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])C2=CN=C(O2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])C2=CN=C(O2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C15H11NO7S2.2Na/c17-24(18,19)12-6-4-10(5-7-12)15-16-9-14(23-15)11-2-1-3-13(8-11)25(20,21)22;;/h1-9H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2