1-benzofuran-5-yl (E)-6-(4-fluorophenyl)-2,2-dimethyl-3,5-bis(oxidanyl)-7-phenylmethoxy-4-propan-2-yl-hept-6-enoate

Systemtic Name: 1-benzofuran-5-yl (E)-6-(4-fluorophenyl)-2,2-dimethyl-3,5-bis(oxidanyl)-7-phenylmethoxy-4-propan-2-yl-hept-6-enoate Openeye Name: benzofuran-5-yl (E)-7-benzyloxy-6-(4-fluorophenyl)-3,5-dihydroxy-4-isopropyl-2,2-dimethyl-hept-6-enoate CAS Name: (E)-6-(4-fluorophenyl)-3,5-dihydroxy-2,2-dimethyl-7-phenylmethoxy-4-propan-2-yl-6-heptenoic acid 5-benzofuranyl ester IUPAC Name: 1-benzofuran-5-yl (E)-6-(4-fluorophenyl)-3,5-dihydroxy-2,2-dimethyl-7-phenylmethoxy-4-propan-2-ylhept-6-enoate Traditional Name: (E)-7-benzoxy-6-(4-fluorophenyl)-3,5-dihydroxy-4-isopropyl-2,2-dimethyl-hept-6-enoic acid benzofuran-5-yl ester Formula: C33H35FO6 MolecularWeight: 546.625803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=COCC1=CC=CC=C1)C2=CC=C(C=C2)F)O)C(C(C)(C)C(=O)OC3=CC4=C(C=C3)OC=C4)O

Isomeric SMILES

CC(C)C(C(/C(=C/OCC1=CC=CC=C1)/C2=CC=C(C=C2)F)O)C(C(C)(C)C(=O)OC3=CC4=C(C=C3)OC=C4)O

InChI

InChI=1S/C33H35FO6/c1-21(2)29(31(36)33(3,4)32(37)40-26-14-15-28-24(18-26)16-17-39-28)30(35)27(23-10-12-25(34)13-11-23)20-38-19-22-8-6-5-7-9-22/h5-18,20-21,29-31,35-36H,19H2,1-4H3/b27-20+