3-[(E)-1,1-dimethoxy-3-phenyl-prop-2-enyl]-9-methyl-1-oxidanyl-4-oxidanylidene-decan-2-olate

Systemtic Name: 3-[(E)-1,1-dimethoxy-3-phenyl-prop-2-enyl]-9-methyl-1-oxidanyl-4-oxidanylidene-decan-2-olate Openeye Name: 3-[(E)-1,1-dimethoxy-3-phenyl-allyl]-1-hydroxy-9-methyl-4-oxo-decan-2-olate CAS Name: 3-[(E)-1,1-dimethoxy-3-phenylprop-2-enyl]-1-hydroxy-9-methyl-4-oxo-2-decanolate IUPAC Name: 3-[(E)-1,1-dimethoxy-3-phenylprop-2-enyl]-1-hydroxy-9-methyl-4-oxodecan-2-olate Traditional Name: (E)-1-hydroxy-4,4-dimethoxy-3-(6-methylheptanoyl)-6-phenyl-hex-5-en-2-olate Formula: C22H33O5- MolecularWeight: 377.49442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(=O)C(C(CO)[O-])C(C=CC1=CC=CC=C1)(OC)OC

Isomeric SMILES

CC(C)CCCCC(=O)C(C(CO)[O-])C(/C=C/C1=CC=CC=C1)(OC)OC

InChI

InChI=1S/C22H33O5/c1-17(2)10-8-9-13-19(24)21(20(25)16-23)22(26-3,27-4)15-14-18-11-6-5-7-12-18/h5-7,11-12,14-15,17,20-21,23H,8-10,13,16H2,1-4H3/q-1/b15-14+