(E)-7-(hydroxymethyl)-8-(2-methoxyphenyl)-8-oxidanyl-oct-4-enoic acid

Systemtic Name: (E)-7-(hydroxymethyl)-8-(2-methoxyphenyl)-8-oxidanyl-oct-4-enoic acid Openeye Name: (E)-8-hydroxy-7-(hydroxymethyl)-8-(2-methoxyphenyl)oct-4-enoic acid CAS Name: (E)-8-hydroxy-7-(hydroxymethyl)-8-(2-methoxyphenyl)-4-octenoic acid IUPAC Name: (E)-8-hydroxy-7-(hydroxymethyl)-8-(2-methoxyphenyl)oct-4-enoic acid Traditional Name: (E)-8-hydroxy-8-(2-methoxyphenyl)-7-methylol-oct-4-enoic acid Formula: C16H22O5 MolecularWeight: 294.34288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C(CC=CCCC(=O)O)CO)O

Isomeric SMILES

COC1=CC=CC=C1C(C(C/C=C/CCC(=O)O)CO)O

InChI

InChI=1S/C16H22O5/c1-21-14-9-6-5-8-13(14)16(20)12(11-17)7-3-2-4-10-15(18)19/h2-3,5-6,8-9,12,16-17,20H,4,7,10-11H2,1H3,(H,18,19)/b3-2+