2-chloranyl-4-methylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]benzoic acid

Systemtic Name: 2-chloranyl-4-methylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]benzoic acid Openeye Name: 2-chloro-4-methylsulfonyl-3-[(3-phenylisoxazol-5-yl)methoxy]benzoic acid CAS Name: 2-chloro-4-methylsulfonyl-3-[(3-phenyl-5-isoxazolyl)methoxy]benzoic acid IUPAC Name: 2-chloro-4-methylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methoxy]benzoic acid Traditional Name: 2-chloro-4-mesyl-3-[(3-phenylisoxazol-5-yl)methoxy]benzoic acid Formula: C18H14ClNO6S MolecularWeight: 407.82486

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)OCC2=CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)OCC2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C18H14ClNO6S/c1-27(23,24)15-8-7-13(18(21)22)16(19)17(15)25-10-12-9-14(20-26-12)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,21,22)