5,5-dimethyl-6-oxidanyl-6-[4-(4-pentylcyclohexyl)phenyl]carbonyl-1,2,3-trioxepane-4,7-dione

Systemtic Name: 5,5-dimethyl-6-oxidanyl-6-[4-(4-pentylcyclohexyl)phenyl]carbonyl-1,2,3-trioxepane-4,7-dione Openeye Name: 5-hydroxy-6,6-dimethyl-5-[4-(4-pentylcyclohexyl)benzoyl]trioxepane-4,7-dione CAS Name: 5-hydroxy-6,6-dimethyl-5-[oxo-[4-(4-pentylcyclohexyl)phenyl]methyl]trioxepane-4,7-dione IUPAC Name: 5-hydroxy-6,6-dimethyl-5-[4-(4-pentylcyclohexyl)benzoyl]trioxepane-4,7-dione Traditional Name: 5-[4-(4-amylcyclohexyl)benzoyl]-5-hydroxy-6,6-dimethyl-trioxepane-4,7-quinone Formula: C24H32O7 MolecularWeight: 432.50668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)C3(C(=O)OOOC(=O)C3(C)C)O

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)C3(C(=O)OOOC(=O)C3(C)C)O

InChI

InChI=1S/C24H32O7/c1-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20(25)24(28)22(27)30-31-29-21(26)23(24,2)3/h12-17,28H,4-11H2,1-3H3