2-(1-oxidanyl-13-phenyl-tridecylidene)cyclohexane-1,3-dione

Systemtic Name: 2-(1-oxidanyl-13-phenyl-tridecylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxy-13-phenyl-tridecylidene)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxy-13-phenyltridecylidene)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxy-13-phenyltridecylidene)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxy-13-phenyl-tridecylidene)cyclohexane-1,3-quinone Formula: C25H36O3 MolecularWeight: 384.55154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C(CCCCCCCCCCCCC2=CC=CC=C2)O)C(=O)C1

Isomeric SMILES

C1CC(=O)C(=C(CCCCCCCCCCCCC2=CC=CC=C2)O)C(=O)C1

InChI

InChI=1S/C25H36O3/c26-22(25-23(27)19-14-20-24(25)28)18-13-8-6-4-2-1-3-5-7-10-15-21-16-11-9-12-17-21/h9,11-12,16-17,26H,1-8,10,13-15,18-20H2