[5-methyl-4-[1-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-3-oxidanylidene-2-benzofuran-1-yl]-2-propan-2-yl-phenyl] 3-methylbenzoate

Systemtic Name: [5-methyl-4-[1-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-3-oxidanylidene-2-benzofuran-1-yl]-2-propan-2-yl-phenyl] 3-methylbenzoate Openeye Name: [4-[1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-oxo-isobenzofuran-1-yl]-2-isopropyl-5-methyl-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-1-isobenzofuranyl]-5-methyl-2-propan-2-ylphenyl] ester IUPAC Name: [4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-keto-phthalan-1-yl]-2-isopropyl-5-methyl-phenyl] ester Formula: C36H36O5 MolecularWeight: 548.66804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C(=C2)C)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5C)O)C(C)C)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C(=C2)C)C3(C4=CC=CC=C4C(=O)O3)C5=CC(=C(C=C5C)O)C(C)C)C(C)C

InChI

InChI=1S/C36H36O5/c1-20(2)27-18-30(23(6)16-32(27)37)36(29-14-9-8-13-26(29)35(39)41-36)31-19-28(21(3)4)33(17-24(31)7)40-34(38)25-12-10-11-22(5)15-25/h8-21,37H,1-7H3