2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]phenoxy]ethanoate

Systemtic Name: 2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxidanylidene-cyclohexylidene]methyl]phenoxy]ethanoate Openeye Name: 2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxo-cyclohexylidene]methyl]phenoxy]acetate CAS Name: 2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]phenoxy]acetate IUPAC Name: 2-[2-methoxy-4-[(E)-[(3S)-3-methyl-2-oxocyclohexylidene]methyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-[(3S)-2-keto-3-methyl-cyclohexylidene]methyl]-2-methoxy-phenoxy]acetate Formula: C17H19O5- MolecularWeight: 303.32976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC(=C(C=C2)OCC(=O)[O-])OC)C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC(=C(C=C2)OCC(=O)[O-])OC)/C1=O

InChI

InChI=1S/C17H20O5/c1-11-4-3-5-13(17(11)20)8-12-6-7-14(15(9-12)21-2)22-10-16(18)19/h6-9,11H,3-5,10H2,1-2H3,(H,18,19)/p-1/b13-8+/t11-/m0/s1