5-cyclohexyl-3-[3-methyl-4-(2-oxidanylheptoxy)phenyl]-3H-1-benzofuran-2-one

Systemtic Name: 5-cyclohexyl-3-[3-methyl-4-(2-oxidanylheptoxy)phenyl]-3H-1-benzofuran-2-one Openeye Name: 5-cyclohexyl-3-[4-(2-hydroxyheptoxy)-3-methyl-phenyl]-3H-benzofuran-2-one CAS Name: 5-cyclohexyl-3-[4-(2-hydroxyheptoxy)-3-methylphenyl]-3H-benzofuran-2-one IUPAC Name: 5-cyclohexyl-3-[4-(2-hydroxyheptoxy)-3-methylphenyl]-3H-1-benzofuran-2-one Traditional Name: 5-cyclohexyl-3-[4-(2-hydroxyheptoxy)-3-methyl-phenyl]coumaran-2-one Formula: C28H36O4 MolecularWeight: 436.58304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(COC1=C(C=C(C=C1)C2C3=C(C=CC(=C3)C4CCCCC4)OC2=O)C)O

Isomeric SMILES

CCCCCC(COC1=C(C=C(C=C1)C2C3=C(C=CC(=C3)C4CCCCC4)OC2=O)C)O

InChI

InChI=1S/C28H36O4/c1-3-4-6-11-23(29)18-31-25-14-13-22(16-19(25)2)27-24-17-21(20-9-7-5-8-10-20)12-15-26(24)32-28(27)30/h12-17,20,23,27,29H,3-11,18H2,1-2H3