3-[(E)-1-cyano-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethenyl]sulfonylbenzoic acid

Systemtic Name: 3-[(E)-1-cyano-2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethenyl]sulfonylbenzoic acid Openeye Name: 3-[(E)-1-cyano-2-(3,5-ditert-butyl-4-hydroxy-phenyl)vinyl]sulfonylbenzoic acid CAS Name: 3-[(E)-1-cyano-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]sulfonylbenzoic acid IUPAC Name: 3-[(E)-1-cyano-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]sulfonylbenzoic acid Traditional Name: 3-[(E)-1-cyano-2-(3,5-ditert-butyl-4-hydroxy-phenyl)vinyl]sulfonylbenzoic acid Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)S(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\C#N)/S(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C24H27NO5S/c1-23(2,3)19-11-15(12-20(21(19)26)24(4,5)6)10-18(14-25)31(29,30)17-9-7-8-16(13-17)22(27)28/h7-13,26H,1-6H3,(H,27,28)/b18-10+