[2-tert-butyl-4-methyl-6-[(3,3,5-trimethyl-2H-1-benzofuran-7-yl)methyl]phenyl] hexanoate

Systemtic Name: [2-tert-butyl-4-methyl-6-[(3,3,5-trimethyl-2H-1-benzofuran-7-yl)methyl]phenyl] hexanoate Openeye Name: [2-tert-butyl-4-methyl-6-[(3,3,5-trimethyl-2H-benzofuran-7-yl)methyl]phenyl] hexanoate CAS Name: hexanoic acid [2-tert-butyl-4-methyl-6-[(3,3,5-trimethyl-2H-benzofuran-7-yl)methyl]phenyl] ester IUPAC Name: [2-tert-butyl-4-methyl-6-[(3,3,5-trimethyl-2H-1-benzofuran-7-yl)methyl]phenyl] hexanoate Traditional Name: hexanoic acid [2-tert-butyl-4-methyl-6-[(3,3,5-trimethylcoumaran-7-yl)methyl]phenyl] ester Formula: C29H40O3 MolecularWeight: 436.6261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C=C(C=C1C(C)(C)C)C)CC2=C3C(=CC(=C2)C)C(CO3)(C)C

Isomeric SMILES

CCCCCC(=O)OC1=C(C=C(C=C1C(C)(C)C)C)CC2=C3C(=CC(=C2)C)C(CO3)(C)C

InChI

InChI=1S/C29H40O3/c1-9-10-11-12-25(30)32-27-22(14-19(2)15-23(27)28(4,5)6)17-21-13-20(3)16-24-26(21)31-18-29(24,7)8/h13-16H,9-12,17-18H2,1-8H3