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

Systemtic Name: 5-methyl-2-(3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid Openeye Name: 5-methyl-2-(3-phenylisoxazol-4-yl)benzenesulfonic acid CAS Name: 5-methyl-2-(3-phenyl-4-isoxazolyl)benzenesulfonic acid IUPAC Name: 5-methyl-2-(3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid Traditional Name: 5-methyl-2-(3-phenylisoxazol-4-yl)besylic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CON=C2C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CON=C2C3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C16H13NO4S/c1-11-7-8-13(15(9-11)22(18,19)20)14-10-21-17-16(14)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19,20)