(2E)-8-(oxan-2-yloxy)-2-(phenylmethylidene)oct-3-ynoic acid

Systemtic Name: (2E)-8-(oxan-2-yloxy)-2-(phenylmethylidene)oct-3-ynoic acid Openeye Name: (2E)-2-benzylidene-8-tetrahydropyran-2-yloxy-oct-3-ynoic acid CAS Name: (2E)-8-(2-oxanyloxy)-2-(phenylmethylene)-3-octynoic acid IUPAC Name: (2E)-2-benzylidene-8-(oxan-2-yloxy)oct-3-ynoic acid Traditional Name: (2E)-2-benzal-8-tetrahydropyran-2-yloxy-oct-3-ynoic acid Formula: C20H24O4 MolecularWeight: 328.40216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCCC#CC(=CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCOC(C1)OCCCCC#C/C(=C\C2=CC=CC=C2)/C(=O)O

InChI

InChI=1S/C20H24O4/c21-20(22)18(16-17-10-4-3-5-11-17)12-6-1-2-8-14-23-19-13-7-9-15-24-19/h3-5,10-11,16,19H,1-2,7-9,13-15H2,(H,21,22)/b18-16+