3-[1,3-benzodioxol-5-yl-(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 3-[1,3-benzodioxol-5-yl-(2-oxidanyl-3-oxidanylidene-5-propan-2-yl-cyclohepta-1,4,6-trien-1-yl)methyl]-2-oxidanyl-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 3-[1,3-benzodioxol-5-yl-(2-hydroxy-5-isopropyl-3-oxo-cyclohepta-1,4,6-trien-1-yl)methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one CAS Name: 3-[1,3-benzodioxol-5-yl-(2-hydroxy-3-oxo-5-propan-2-yl-1-cyclohepta-1,4,6-trienyl)methyl]-2-hydroxy-6-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 3-[1,3-benzodioxol-5-yl-(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)methyl]-2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 3-[1,3-benzodioxol-5-yl-(2-hydroxy-5-isopropyl-3-keto-cyclohepta-1,4,6-trien-1-yl)methyl]-2-hydroxy-6-isopropyl-cyclohepta-2,4,6-trien-1-one Formula: C28H28O6 MolecularWeight: 460.51832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC3=C(C=C2)OCO3)C4=C(C(=O)C=C(C=C4)C(C)C)O)O

Isomeric SMILES

CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC3=C(C=C2)OCO3)C4=C(C(=O)C=C(C=C4)C(C)C)O)O

InChI

InChI=1S/C28H28O6/c1-15(2)17-5-8-20(27(31)22(29)11-17)26(19-7-10-24-25(13-19)34-14-33-24)21-9-6-18(16(3)4)12-23(30)28(21)32/h5-13,15-16,26H,14H2,1-4H3,(H,29,31)(H,30,32)