1,1'-biphenyl; 3-octyltridecanoate

Systemtic Name: 1,1'-biphenyl; 3-octyltridecanoate Openeye Name: biphenyl; 3-octyltridecanoate CAS Name: 1,1'-biphenyl; 3-octyltridecanoate IUPAC Name: 1,1'-biphenyl; 3-octyltridecanoate Traditional Name: biphenyl; 3-octyltridecanoate Formula: C33H51O2- MolecularWeight: 479.75684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CC(=O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CC(=O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H42O2.C12H10/c1-3-5-7-9-11-12-14-16-18-20(19-21(22)23)17-15-13-10-8-6-4-2;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h20H,3-19H2,1-2H3,(H,22,23);1-10H/p-1