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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CCCC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3S(=O)(=O)O

InChI

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