(9E,15E)-18-bromanyloctadeca-9,15-dien-5,7,17-triynoic acid

Systemtic Name: (9E,15E)-18-bromanyloctadeca-9,15-dien-5,7,17-triynoic acid Openeye Name: (9E,15E)-18-bromooctadeca-9,15-dien-5,7,17-triynoic acid CAS Name: (9E,15E)-18-bromooctadeca-9,15-dien-5,7,17-triynoic acid IUPAC Name: (9E,15E)-18-bromooctadeca-9,15-dien-5,7,17-triynoic acid Traditional Name: (9E,15E)-18-bromooctadeca-9,15-dien-5,7,17-triynoic acid Formula: C18H19BrO2 MolecularWeight: 347.24626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CCC=CC#CBr)CC=CC#CC#CCCCC(=O)O

Isomeric SMILES

C(CC/C=C/C#CBr)C/C=C/C#CC#CCCCC(=O)O

InChI

InChI=1S/C18H19BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,11,13H,3,5,7,9,12,14,16H2,(H,20,21)/b2-1+,13-11+