(E)-8-(1-hydroxyethyl)-13-(3-methoxyphenoxy)-12-oxidanyl-tridec-5-enoic acid

Systemtic Name: (E)-8-(1-hydroxyethyl)-13-(3-methoxyphenoxy)-12-oxidanyl-tridec-5-enoic acid Openeye Name: (E)-12-hydroxy-8-(1-hydroxyethyl)-13-(3-methoxyphenoxy)tridec-5-enoic acid CAS Name: (E)-12-hydroxy-8-(1-hydroxyethyl)-13-(3-methoxyphenoxy)-5-tridecenoic acid IUPAC Name: (E)-12-hydroxy-8-(1-hydroxyethyl)-13-(3-methoxyphenoxy)tridec-5-enoic acid Traditional Name: (E)-12-hydroxy-8-(1-hydroxyethyl)-13-(3-methoxyphenoxy)tridec-5-enoic acid Formula: C22H34O6 MolecularWeight: 394.50176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCC(COC1=CC=CC(=C1)OC)O)CC=CCCCC(=O)O)O

Isomeric SMILES

CC(C(CCCC(COC1=CC=CC(=C1)OC)O)C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C22H34O6/c1-17(23)18(9-5-3-4-6-14-22(25)26)10-7-11-19(24)16-28-21-13-8-12-20(15-21)27-2/h3,5,8,12-13,15,17-19,23-24H,4,6-7,9-11,14,16H2,1-2H3,(H,25,26)/b5-3+