1-octyl-3-[4-(4-octylphenyl)phenyl]bicyclo[1.1.1]pentane

Systemtic Name: 1-octyl-3-[4-(4-octylphenyl)phenyl]bicyclo[1.1.1]pentane Openeye Name: 1-octyl-3-[4-(4-octylphenyl)phenyl]bicyclo[1.1.1]pentane CAS Name: 1-octyl-3-[4-(4-octylphenyl)phenyl]bicyclo[1.1.1]pentane IUPAC Name: 1-octyl-3-[4-(4-octylphenyl)phenyl]bicyclo[1.1.1]pentane Traditional Name: 1-octyl-3-[4-(4-octylphenyl)phenyl]bicyclo[1.1.1]pentane Formula: C33H48 MolecularWeight: 444.73422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C34CC(C3)(C4)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C34CC(C3)(C4)CCCCCCCC

InChI

InChI=1S/C33H48/c1-3-5-7-9-11-13-15-28-16-18-29(19-17-28)30-20-22-31(23-21-30)33-25-32(26-33,27-33)24-14-12-10-8-6-4-2/h16-23H,3-15,24-27H2,1-2H3