2-[(8E,11E)-heptadeca-8,11-dienyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-5,6-dimethoxy-3-methyl-1,4-benzoquinone CAS Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[(8E,11E)-heptadeca-8,11-dienyl]-5,6-dimethoxy-3-methyl-p-benzoquinone Formula: C26H40O4 MolecularWeight: 416.5934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C

InChI

InChI=1S/C26H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(2)23(27)25(29-3)26(30-4)24(22)28/h9-10,12-13H,5-8,11,14-20H2,1-4H3/b10-9+,13-12+