(E)-6-[6-methoxy-3-(2-methylsulfinylethanoyl)-2-oxidanyl-phenyl]-4-methyl-hex-4-enoic acid

Systemtic Name: (E)-6-[6-methoxy-3-(2-methylsulfinylethanoyl)-2-oxidanyl-phenyl]-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-[2-hydroxy-6-methoxy-3-(2-methylsulfinylacetyl)phenyl]-4-methyl-hex-4-enoic acid CAS Name: (E)-6-[2-hydroxy-6-methoxy-3-(2-methylsulfinyl-1-oxoethyl)phenyl]-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-[2-hydroxy-6-methoxy-3-(2-methylsulfinylacetyl)phenyl]-4-methylhex-4-enoic acid Traditional Name: (E)-6-[2-hydroxy-6-methoxy-3-(2-methylsulfinylacetyl)phenyl]-4-methyl-hex-4-enoic acid Formula: C17H22O6S MolecularWeight: 354.41798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C=CC(=C1O)C(=O)CS(=O)C)OC)CCC(=O)O

Isomeric SMILES

C/C(=C\CC1=C(C=CC(=C1O)C(=O)CS(=O)C)OC)/CCC(=O)O

InChI

InChI=1S/C17H22O6S/c1-11(5-9-16(19)20)4-6-13-15(23-2)8-7-12(17(13)21)14(18)10-24(3)22/h4,7-8,21H,5-6,9-10H2,1-3H3,(H,19,20)/b11-4+