[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [(4E)-1,5,9-trimethyl-1-vinyl-deca-4,8-dienyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] ester IUPAC Name: [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [(4E)-1,5,9-trimethyl-1-vinyl-deca-4,8-dienyl] ester Formula: C22H30O5 MolecularWeight: 374.4706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=CCC/C(=C/CCC(C)(C=C)OC(=O)C1=CC(=C(C(=C1)O)O)O)/C)C

InChI

InChI=1S/C22H30O5/c1-6-22(5,12-8-11-16(4)10-7-9-15(2)3)27-21(26)17-13-18(23)20(25)19(24)14-17/h6,9,11,13-14,23-25H,1,7-8,10,12H2,2-5H3/b16-11+