(E,6S,7S)-7-(4-hydroxyphenyl)-6-methoxy-7-oxidanyl-hept-2-enoic acid

Systemtic Name: (E,6S,7S)-7-(4-hydroxyphenyl)-6-methoxy-7-oxidanyl-hept-2-enoic acid Openeye Name: (E,6S,7S)-7-hydroxy-7-(4-hydroxyphenyl)-6-methoxy-hept-2-enoic acid CAS Name: (E,6S,7S)-7-hydroxy-7-(4-hydroxyphenyl)-6-methoxy-2-heptenoic acid IUPAC Name: (E,6S,7S)-7-hydroxy-7-(4-hydroxyphenyl)-6-methoxyhept-2-enoic acid Traditional Name: (E,6S,7S)-7-hydroxy-7-(4-hydroxyphenyl)-6-methoxy-hept-2-enoic acid Formula: C14H18O5 MolecularWeight: 266.28972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(CCC=CC(=O)O)C(C1=CC=C(C=C1)O)O

Isomeric SMILES

CO[C@@H](CC/C=C/C(=O)O)[C@H](C1=CC=C(C=C1)O)O

InChI

InChI=1S/C14H18O5/c1-19-12(4-2-3-5-13(16)17)14(18)10-6-8-11(15)9-7-10/h3,5-9,12,14-15,18H,2,4H2,1H3,(H,16,17)/b5-3+/t12-,14-/m0/s1