1-[4-[4-(4-octylcyclohexyl)phenyl]phenyl]pentane-1,3-dione

Systemtic Name: 1-[4-[4-(4-octylcyclohexyl)phenyl]phenyl]pentane-1,3-dione Openeye Name: 1-[4-[4-(4-octylcyclohexyl)phenyl]phenyl]pentane-1,3-dione CAS Name: 1-[4-[4-(4-octylcyclohexyl)phenyl]phenyl]pentane-1,3-dione IUPAC Name: 1-[4-[4-(4-octylcyclohexyl)phenyl]phenyl]pentane-1,3-dione Traditional Name: 1-[4-[4-(4-octylcyclohexyl)phenyl]phenyl]pentane-1,3-dione Formula: C31H42O2 MolecularWeight: 446.66398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)CC(=O)CC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)CC(=O)CC

InChI

InChI=1S/C31H42O2/c1-3-5-6-7-8-9-10-24-11-13-25(14-12-24)26-15-17-27(18-16-26)28-19-21-29(22-20-28)31(33)23-30(32)4-2/h15-22,24-25H,3-14,23H2,1-2H3