2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(E)-2,2,11,11-tetramethyl-6-(phenylsulfonyl)dodec-5-en-3,7,9-triyn-5-yl]oxy-phenyl]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[[3,5-ditert-butyl-4-[(E)-2,2,11,11-tetramethyl-6-(phenylsulfonyl)dodec-5-en-3,7,9-triyn-5-yl]oxy-phenyl]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-[(E)-2-(benzenesulfonyl)-1-(3,3-dimethylbut-1-ynyl)-7,7-dimethyl-oct-1-en-3,5-diynoxy]-3,5-ditert-butyl-phenyl]methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-[(E)-6-(benzenesulfonyl)-2,2,11,11-tetramethyldodec-5-en-3,7,9-triyn-5-yl]oxy-3,5-ditert-butylphenyl]methylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-[(E)-6-(benzenesulfonyl)-2,2,11,11-tetramethyldodec-5-en-3,7,9-triyn-5-yl]oxy-3,5-ditert-butylphenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[4-[(E)-2-besyl-1-(3,3-dimethylbut-1-ynyl)-7,7-dimethyl-oct-1-en-3,5-diynoxy]-3,5-ditert-butyl-benzylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C51H64O4S MolecularWeight: 773.11646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC#CC(=C(C#CC(C)(C)C)OC1=C(C=C(C=C1C(C)(C)C)C=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C#CC#C/C(=C(/C#CC(C)(C)C)\OC1=C(C=C(C=C1C(C)(C)C)C=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C)/S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C51H64O4S/c1-46(2,3)28-23-22-26-43(56(53,54)37-24-20-19-21-25-37)42(27-29-47(4,5)6)55-45-40(50(13,14)15)33-36(34-41(45)51(16,17)18)30-35-31-38(48(7,8)9)44(52)39(32-35)49(10,11)12/h19-21,24-25,30-34H,1-18H3/b43-42+