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

Systemtic Name: 5-(2-hexadecoxyphenyl)cyclohexane-1,3-dione Openeye Name: 5-(2-hexadecoxyphenyl)cyclohexane-1,3-dione CAS Name: 5-(2-hexadecoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 5-(2-hexadecoxyphenyl)cyclohexane-1,3-dione Traditional Name: 5-(2-cetyloxyphenyl)cyclohexane-1,3-quinone Formula: C28H44O3 MolecularWeight: 428.64716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C2CC(=O)CC(=O)C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=CC=C1C2CC(=O)CC(=O)C2

InChI

InChI=1S/C28H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-31-28-19-16-15-18-27(28)24-21-25(29)23-26(30)22-24/h15-16,18-19,24H,2-14,17,20-23H2,1H3