2-[(5E)-6,10-dimethyl-2-oxidanyl-undeca-5,9-dien-2-yl]-2,3-dihydro-1-benzofuran-5-carboxylic acid

Systemtic Name: 2-[(5E)-6,10-dimethyl-2-oxidanyl-undeca-5,9-dien-2-yl]-2,3-dihydro-1-benzofuran-5-carboxylic acid Openeye Name: 2-[(4E)-1-hydroxy-1,5,9-trimethyl-deca-4,8-dienyl]-2,3-dihydrobenzofuran-5-carboxylic acid CAS Name: 2-[(5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2,3-dihydrobenzofuran-5-carboxylic acid IUPAC Name: 2-[(5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-2,3-dihydro-1-benzofuran-5-carboxylic acid Traditional Name: 2-[(4E)-1-hydroxy-1,5,9-trimethyl-deca-4,8-dienyl]coumaran-5-carboxylic acid Formula: C22H30O4 MolecularWeight: 358.4712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(C)(C1CC2=C(O1)C=CC(=C2)C(=O)O)O)C)C

Isomeric SMILES

CC(=CCC/C(=C/CCC(C)(C1CC2=C(O1)C=CC(=C2)C(=O)O)O)/C)C

InChI

InChI=1S/C22H30O4/c1-15(2)7-5-8-16(3)9-6-12-22(4,25)20-14-18-13-17(21(23)24)10-11-19(18)26-20/h7,9-11,13,20,25H,5-6,8,12,14H2,1-4H3,(H,23,24)/b16-9+