methyl (E)-3-phenyldec-2-en-5-ynoate

Systemtic Name: methyl (E)-3-phenyldec-2-en-5-ynoate Openeye Name: methyl (E)-3-phenyldec-2-en-5-ynoate CAS Name: (E)-3-phenyldec-2-en-5-ynoic acid methyl ester IUPAC Name: methyl (E)-3-phenyldec-2-en-5-ynoate Traditional Name: (E)-3-phenyldec-2-en-5-ynoic acid methyl ester Formula: C17H20O2 MolecularWeight: 256.3395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCC(=CC(=O)OC)C1=CC=CC=C1

Isomeric SMILES

CCCCC#CC/C(=C\C(=O)OC)/C1=CC=CC=C1

InChI

InChI=1S/C17H20O2/c1-3-4-5-6-8-13-16(14-17(18)19-2)15-11-9-7-10-12-15/h7,9-12,14H,3-5,13H2,1-2H3/b16-14+