(6-octylnaphthalen-1-yl) 2,3,5-tris(fluoranyl)-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: (6-octylnaphthalen-1-yl) 2,3,5-tris(fluoranyl)-4-pentyl-cyclohexane-1-carboxylate Openeye Name: (6-octyl-1-naphthyl) 2,3,5-trifluoro-4-pentyl-cyclohexanecarboxylate CAS Name: 2,3,5-trifluoro-4-pentyl-1-cyclohexanecarboxylic acid (6-octyl-1-naphthalenyl) ester IUPAC Name: (6-octylnaphthalen-1-yl) 2,3,5-trifluoro-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-2,3,5-trifluoro-cyclohexanecarboxylic acid (6-octyl-1-naphthyl) ester Formula: C30H41F3O2 MolecularWeight: 490.64055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)C(=CC=C2)OC(=O)C3CC(C(C(C3F)F)CCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)C(=CC=C2)OC(=O)C3CC(C(C(C3F)F)CCCCC)F

InChI

InChI=1S/C30H41F3O2/c1-3-5-7-8-9-11-13-21-17-18-23-22(19-21)14-12-16-27(23)35-30(34)25-20-26(31)24(15-10-6-4-2)28(32)29(25)33/h12,14,16-19,24-26,28-29H,3-11,13,15,20H2,1-2H3