3-[(5-tert-butyl-2-oxidanyl-phenyl)-(4-methoxyphenyl)methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-[(5-tert-butyl-2-oxidanyl-phenyl)-(4-methoxyphenyl)methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[(5-tert-butyl-2-hydroxy-phenyl)-(4-methoxyphenyl)methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[(5-tert-butyl-2-hydroxyphenyl)-(4-methoxyphenyl)methyl]-2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[(5-tert-butyl-2-hydroxyphenyl)-(4-methoxyphenyl)methyl]-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 3-[(5-tert-butyl-2-hydroxy-phenyl)-(4-methoxyphenyl)methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C28H32O4 MolecularWeight: 432.55128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C=CC(=C3)C(C)(C)C)O)O

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C=CC(=C3)C(C)(C)C)O)O

InChI

InChI=1S/C28H32O4/c1-17(2)19-9-13-22(27(31)25(30)15-19)26(18-7-11-21(32-6)12-8-18)23-16-20(28(3,4)5)10-14-24(23)29/h7-17,26,29H,1-6H3,(H,30,31)