(2E,7E,9E)-3-methylheptadeca-2,7,9-trien-11,13,15-triynoate

Systemtic Name: (2E,7E,9E)-3-methylheptadeca-2,7,9-trien-11,13,15-triynoate Openeye Name: (2E,7E,9E)-3-methylheptadeca-2,7,9-trien-11,13,15-triynoate CAS Name: (2E,7E,9E)-3-methylheptadeca-2,7,9-trien-11,13,15-triynoate IUPAC Name: (2E,7E,9E)-3-methylheptadeca-2,7,9-trien-11,13,15-triynoate Traditional Name: (2E,7E,9E)-3-methylheptadeca-2,7,9-trien-11,13,15-triynoate Formula: C18H17O2- MolecularWeight: 265.32638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC#CC#CC=CC=CCCCC(=CC(=O)[O-])C

Isomeric SMILES

CC#CC#CC#C/C=C/C=C/CCC/C(=C/C(=O)[O-])/C

InChI

InChI=1S/C18H18O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-18(19)20/h9-12,16H,13-15H2,1-2H3,(H,19,20)/p-1/b10-9+,12-11+,17-16+