5,7-bis[1,1-bis(5-methyl-2-propan-2-yl-cyclohexyl)ethyl]-3-phenyl-3H-1-benzofuran-2-one

Systemtic Name: 5,7-bis[1,1-bis(5-methyl-2-propan-2-yl-cyclohexyl)ethyl]-3-phenyl-3H-1-benzofuran-2-one Openeye Name: 5,7-bis[1,1-bis(2-isopropyl-5-methyl-cyclohexyl)ethyl]-3-phenyl-3H-benzofuran-2-one CAS Name: 5,7-bis[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)ethyl]-3-phenyl-3H-benzofuran-2-one IUPAC Name: 5,7-bis[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)ethyl]-3-phenyl-3H-1-benzofuran-2-one Traditional Name: 5,7-bis[1,1-bis(2-isopropyl-5-methyl-cyclohexyl)ethyl]-3-phenyl-coumaran-2-one Formula: C58H90O2 MolecularWeight: 819.334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(C)(C2CC(CCC2C(C)C)C)C3=CC(=C4C(=C3)C(C(=O)O4)C5=CC=CC=C5)C(C)(C6CC(CCC6C(C)C)C)C7CC(CCC7C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)C(C)(C2CC(CCC2C(C)C)C)C3=CC(=C4C(=C3)C(C(=O)O4)C5=CC=CC=C5)C(C)(C6CC(CCC6C(C)C)C)C7CC(CCC7C(C)C)C)C(C)C

InChI

InChI=1S/C58H90O2/c1-34(2)44-24-20-38(9)28-49(44)57(13,50-29-39(10)21-25-45(50)35(3)4)43-32-48-54(42-18-16-15-17-19-42)56(59)60-55(48)53(33-43)58(14,51-30-40(11)22-26-46(51)36(5)6)52-31-41(12)23-27-47(52)37(7)8/h15-19,32-41,44-47,49-52,54H,20-31H2,1-14H3