[(4R,5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-4-yl] 4-bromanylbenzoate

Systemtic Name: [(4R,5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-4-yl] 4-bromanylbenzoate Openeye Name: [(1R,2E,6E)-3,7,11-trimethyl-1-propyl-dodeca-2,6,10-trienyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(4R,5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-4-yl] ester IUPAC Name: [(4R,5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-4-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R,2E,6E)-3,7,11-trimethyl-1-propyl-dodeca-2,6,10-trienyl] ester Formula: C25H35BrO2 MolecularWeight: 447.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=C(C)CCC=C(C)CCC=C(C)C)OC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCC[C@H](/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)OC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C25H35BrO2/c1-6-9-24(28-25(27)22-14-16-23(26)17-15-22)18-21(5)13-8-12-20(4)11-7-10-19(2)3/h10,12,14-18,24H,6-9,11,13H2,1-5H3/b20-12+,21-18+/t24-/m1/s1