(E)-8-(hydroxymethyl)-9-oxidanyl-9-phenyl-non-2-enoic acid

Systemtic Name: (E)-8-(hydroxymethyl)-9-oxidanyl-9-phenyl-non-2-enoic acid Openeye Name: (E)-9-hydroxy-8-(hydroxymethyl)-9-phenyl-non-2-enoic acid CAS Name: (E)-9-hydroxy-8-(hydroxymethyl)-9-phenyl-2-nonenoic acid IUPAC Name: (E)-9-hydroxy-8-(hydroxymethyl)-9-phenylnon-2-enoic acid Traditional Name: (E)-9-hydroxy-8-methylol-9-phenyl-non-2-enoic acid Formula: C16H22O4 MolecularWeight: 278.34348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CCCCC=CC(=O)O)CO)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(CCCC/C=C/C(=O)O)CO)O

InChI

InChI=1S/C16H22O4/c17-12-14(10-4-1-2-7-11-15(18)19)16(20)13-8-5-3-6-9-13/h3,5-9,11,14,16-17,20H,1-2,4,10,12H2,(H,18,19)/b11-7+