5-(2,5-dioctoxyphenyl)cyclohexane-1,3-dione

Systemtic Name: 5-(2,5-dioctoxyphenyl)cyclohexane-1,3-dione Openeye Name: 5-(2,5-dioctoxyphenyl)cyclohexane-1,3-dione CAS Name: 5-(2,5-dioctoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 5-(2,5-dioctoxyphenyl)cyclohexane-1,3-dione Traditional Name: 5-(2,5-dioctoxyphenyl)cyclohexane-1,3-quinone Formula: C28H44O4 MolecularWeight: 444.64656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)C2CC(=O)CC(=O)C2

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)C2CC(=O)CC(=O)C2

InChI

InChI=1S/C28H44O4/c1-3-5-7-9-11-13-17-31-26-15-16-28(32-18-14-12-10-8-6-4-2)27(22-26)23-19-24(29)21-25(30)20-23/h15-16,22-23H,3-14,17-21H2,1-2H3