(9E,13E,17E)-18-bromanyloctadeca-9,13,17-trien-5,7,15-triynoic acid

Systemtic Name: (9E,13E,17E)-18-bromanyloctadeca-9,13,17-trien-5,7,15-triynoic acid Openeye Name: (9E,13E,17E)-18-bromooctadeca-9,13,17-trien-5,7,15-triynoic acid CAS Name: (9E,13E,17E)-18-bromooctadeca-9,13,17-trien-5,7,15-triynoic acid IUPAC Name: (9E,13E,17E)-18-bromooctadeca-9,13,17-trien-5,7,15-triynoic acid Traditional Name: (9E,13E,17E)-18-bromooctadeca-9,13,17-trien-5,7,15-triynoic acid Formula: C18H17BrO2 MolecularWeight: 345.23038

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Descriptors Computed from Structure

Canonical SMILES:

C(CC#CC#CC=CCCC=CC#CC=CBr)CC(=O)O

Isomeric SMILES

C(CC#CC#C/C=C/CC/C=C/C#C/C=C/Br)CC(=O)O

InChI

InChI=1S/C18H17BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,7,9,15,17H,3,5,12,14,16H2,(H,20,21)/b2-1+,9-7+,17-15+