(2R,6E)-2-tert-butyl-6-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methylidene]cyclohexan-1-one

Systemtic Name: (2R,6E)-2-tert-butyl-6-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methylidene]cyclohexan-1-one Openeye Name: (2R,6E)-2-tert-butyl-6-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methylene]cyclohexanone CAS Name: (2R,6E)-2-tert-butyl-6-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-1-cyclohexanone IUPAC Name: (2R,6E)-2-tert-butyl-6-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]cyclohexan-1-one Traditional Name: (2R,6E)-2-tert-butyl-6-(3-chloro-4-hydroxy-5-methoxy-benzylidene)cyclohexanone Formula: C18H23ClO3 MolecularWeight: 322.82642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCCC(=CC2=CC(=C(C(=C2)Cl)O)OC)C1=O

Isomeric SMILES

CC(C)(C)[C@H]1CCC/C(=C\C2=CC(=C(C(=C2)Cl)O)OC)/C1=O

InChI

InChI=1S/C18H23ClO3/c1-18(2,3)13-7-5-6-12(16(13)20)8-11-9-14(19)17(21)15(10-11)22-4/h8-10,13,21H,5-7H2,1-4H3/b12-8+/t13-/m0/s1