sodium 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonate

Systemtic Name: sodium 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonate Openeye Name: sodium 4-(5-methyl-3-phenyl-isoxazol-4-yl)benzenesulfonate CAS Name: sodium 4-(5-methyl-3-phenyl-4-isoxazolyl)benzenesulfonate IUPAC Name: sodium 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonate Traditional Name: sodium 4-(5-methyl-3-phenyl-isoxazol-4-yl)besylate Formula: C16H12NNaO4S MolecularWeight: 337.32555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

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