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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NO1)C2=C(C=CC=C2S(=O)(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=C(C=NO1)C2=C(C=CC=C2S(=O)(=O)O)C3=CC=CC=C3

InChI

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