4-[(E)-9-oxidanyl-9-oxidanylidene-1-[4-(3-phenoxypropoxy)phenyl]non-2-en-4-yl]benzoic acid

Systemtic Name: 4-[(E)-9-oxidanyl-9-oxidanylidene-1-[4-(3-phenoxypropoxy)phenyl]non-2-en-4-yl]benzoic acid Openeye Name: 4-[6-hydroxy-6-oxo-1-[(E)-3-[4-(3-phenoxypropoxy)phenyl]prop-1-enyl]hexyl]benzoic acid CAS Name: 4-[(E)-9-hydroxy-9-oxo-1-[4-(3-phenoxypropoxy)phenyl]non-2-en-4-yl]benzoic acid IUPAC Name: 4-[(E)-9-hydroxy-9-oxo-1-[4-(3-phenoxypropoxy)phenyl]non-2-en-4-yl]benzoic acid Traditional Name: 4-[(E)-1-(5-hydroxy-5-keto-pentyl)-4-[4-(3-phenoxypropoxy)phenyl]but-2-enyl]benzoic acid Formula: C31H34O6 MolecularWeight: 502.59806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)CC=CC(CCCCC(=O)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)C/C=C/C(CCCCC(=O)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C31H34O6/c32-30(33)13-5-4-9-25(26-16-18-27(19-17-26)31(34)35)10-6-8-24-14-20-29(21-15-24)37-23-7-22-36-28-11-2-1-3-12-28/h1-3,6,10-12,14-21,25H,4-5,7-9,13,22-23H2,(H,32,33)(H,34,35)/b10-6+