2-[3-[(E)-4-(4-chlorophenyl)-3-oxidanyl-but-1-enyl]-1-oxidanyl-cyclohexyl]ethanoate

Systemtic Name: 2-[3-[(E)-4-(4-chlorophenyl)-3-oxidanyl-but-1-enyl]-1-oxidanyl-cyclohexyl]ethanoate Openeye Name: 2-[3-[(E)-4-(4-chlorophenyl)-3-hydroxy-but-1-enyl]-1-hydroxy-cyclohexyl]acetate CAS Name: 2-[3-[(E)-4-(4-chlorophenyl)-3-hydroxybut-1-enyl]-1-hydroxycyclohexyl]acetate IUPAC Name: 2-[3-[(E)-4-(4-chlorophenyl)-3-hydroxybut-1-enyl]-1-hydroxycyclohexyl]acetate Traditional Name: 2-[3-[(E)-4-(4-chlorophenyl)-3-hydroxy-but-1-enyl]-1-hydroxy-cyclohexyl]acetate Formula: C18H22ClO4- MolecularWeight: 337.81788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(CC(=O)[O-])O)C=CC(CC2=CC=C(C=C2)Cl)O

Isomeric SMILES

C1CC(CC(C1)(CC(=O)[O-])O)/C=C/C(CC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C18H23ClO4/c19-15-6-3-13(4-7-15)10-16(20)8-5-14-2-1-9-18(23,11-14)12-17(21)22/h3-8,14,16,20,23H,1-2,9-12H2,(H,21,22)/p-1/b8-5+