4-phenylmethoxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid

Systemtic Name: 4-phenylmethoxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid Openeye Name: 4-benzyloxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid CAS Name: 4-phenylmethoxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid IUPAC Name: 4-phenylmethoxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid Traditional Name: 4-benzoxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid Formula: C29H36O3 MolecularWeight: 432.59434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)C(=O)O)OCC2=CC=CC=C2)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CC1=C(C=CC(=C1)C(=O)O)OCC2=CC=CC=C2)/C)/C)C

InChI

InChI=1S/C29H36O3/c1-22(2)10-8-11-23(3)12-9-13-24(4)16-17-26-20-27(29(30)31)18-19-28(26)32-21-25-14-6-5-7-15-25/h5-7,10,12,14-16,18-20H,8-9,11,13,17,21H2,1-4H3,(H,30,31)/b23-12+,24-16+