2,3-bis(fluoranyl)-4,4-diheptyl-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid

Systemtic Name: 2,3-bis(fluoranyl)-4,4-diheptyl-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid Openeye Name: 2,3-difluoro-4,4-diheptyl-1-(4-phenylphenyl)cyclohexanecarboxylic acid CAS Name: 2,3-difluoro-4,4-diheptyl-1-(4-phenylphenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 2,3-difluoro-4,4-diheptyl-1-(4-phenylphenyl)cyclohexane-1-carboxylic acid Traditional Name: 2,3-difluoro-4,4-diheptyl-1-(4-phenylphenyl)cyclohexanecarboxylic acid Formula: C33H46F2O2 MolecularWeight: 512.713946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(C(C1F)F)(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)CCCCCCC

Isomeric SMILES

CCCCCCCC1(CCC(C(C1F)F)(C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)CCCCCCC

InChI

InChI=1S/C33H46F2O2/c1-3-5-7-9-14-22-32(23-15-10-8-6-4-2)24-25-33(31(36)37,30(35)29(32)34)28-20-18-27(19-21-28)26-16-12-11-13-17-26/h11-13,16-21,29-30H,3-10,14-15,22-25H2,1-2H3,(H,36,37)