(6-octylnaphthalen-1-yl) 2,3-bis(fluoranyl)-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: (6-octylnaphthalen-1-yl) 2,3-bis(fluoranyl)-4-pentyl-cyclohexane-1-carboxylate Openeye Name: (6-octyl-1-naphthyl) 2,3-difluoro-4-pentyl-cyclohexanecarboxylate CAS Name: 2,3-difluoro-4-pentyl-1-cyclohexanecarboxylic acid (6-octyl-1-naphthalenyl) ester IUPAC Name: (6-octylnaphthalen-1-yl) 2,3-difluoro-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-2,3-difluoro-cyclohexanecarboxylic acid (6-octyl-1-naphthyl) ester Formula: C30H42F2O2 MolecularWeight: 472.650086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)C(=CC=C2)OC(=O)C3CCC(C(C3F)F)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)C(=CC=C2)OC(=O)C3CCC(C(C3F)F)CCCCC

InChI

InChI=1S/C30H42F2O2/c1-3-5-7-8-9-11-13-22-17-19-25-24(21-22)15-12-16-27(25)34-30(33)26-20-18-23(14-10-6-4-2)28(31)29(26)32/h12,15-17,19,21,23,26,28-29H,3-11,13-14,18,20H2,1-2H3