(E)-7-[4-(4-fluorophenyl)-2,2-dimethyl-6-propan-2-yl-1,3-benzodioxol-5-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: (E)-7-[4-(4-fluorophenyl)-2,2-dimethyl-6-propan-2-yl-1,3-benzodioxol-5-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2,2-dimethyl-1,3-benzodioxol-5-yl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-[4-(4-fluorophenyl)-2,2-dimethyl-6-propan-2-yl-1,3-benzodioxol-5-yl]-5-hydroxy-3-oxo-6-heptenoate IUPAC Name: (E)-7-[4-(4-fluorophenyl)-2,2-dimethyl-6-propan-2-yl-1,3-benzodioxol-5-yl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2,2-dimethyl-1,3-benzodioxol-5-yl]-5-hydroxy-3-keto-hept-6-enoate Formula: C25H26FO6- MolecularWeight: 441.468743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C(=C1C=CC(CC(=O)CC(=O)[O-])O)C3=CC=C(C=C3)F)OC(O2)(C)C

Isomeric SMILES

CC(C)C1=CC2=C(C(=C1/C=C/C(CC(=O)CC(=O)[O-])O)C3=CC=C(C=C3)F)OC(O2)(C)C

InChI

InChI=1S/C25H27FO6/c1-14(2)20-13-21-24(32-25(3,4)31-21)23(15-5-7-16(26)8-6-15)19(20)10-9-17(27)11-18(28)12-22(29)30/h5-10,13-14,17,27H,11-12H2,1-4H3,(H,29,30)/p-1/b10-9+