2-(3-phenyl-1,2-oxazol-4-yl)-5-propyl-benzenesulfonic acid

Systemtic Name: 2-(3-phenyl-1,2-oxazol-4-yl)-5-propyl-benzenesulfonic acid Openeye Name: 2-(3-phenylisoxazol-4-yl)-5-propyl-benzenesulfonic acid CAS Name: 2-(3-phenyl-4-isoxazolyl)-5-propylbenzenesulfonic acid IUPAC Name: 2-(3-phenyl-1,2-oxazol-4-yl)-5-propylbenzenesulfonic acid Traditional Name: 2-(3-phenylisoxazol-4-yl)-5-propyl-besylic acid Formula: C18H17NO4S MolecularWeight: 343.39688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)C2=CON=C2C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)C2=CON=C2C3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C18H17NO4S/c1-2-6-13-9-10-15(17(11-13)24(20,21)22)16-12-23-19-18(16)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3,(H,20,21,22)