[4-(4-octylphenyl)-2-(phenylcarbonyloxycarbonylamino)-2-(trifluoromethylsulfonyloxymethyl)butyl] benzoate

Systemtic Name: [4-(4-octylphenyl)-2-(phenylcarbonyloxycarbonylamino)-2-(trifluoromethylsulfonyloxymethyl)butyl] benzoate Openeye Name: [2-(benzoyloxycarbonylamino)-4-(4-octylphenyl)-2-(trifluoromethylsulfonyloxymethyl)butyl] benzoate CAS Name: benzoic acid [2-[[benzoyloxy(oxo)methyl]amino]-4-(4-octylphenyl)-2-(trifluoromethylsulfonyloxymethyl)butyl] ester IUPAC Name: [2-(benzoyloxycarbonylamino)-4-(4-octylphenyl)-2-(trifluoromethylsulfonyloxymethyl)butyl] benzoate Traditional Name: benzoic acid [2-(benzoyloxycarbonylamino)-4-(4-octylphenyl)-2-(triflyloxymethyl)butyl] ester Formula: C35H40F3NO8S MolecularWeight: 691.75421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(COC(=O)C2=CC=CC=C2)(COS(=O)(=O)C(F)(F)F)NC(=O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(COC(=O)C2=CC=CC=C2)(COS(=O)(=O)C(F)(F)F)NC(=O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C35H40F3NO8S/c1-2-3-4-5-6-9-14-27-19-21-28(22-20-27)23-24-34(26-46-48(43,44)35(36,37)38,25-45-31(40)29-15-10-7-11-16-29)39-33(42)47-32(41)30-17-12-8-13-18-30/h7-8,10-13,15-22H,2-6,9,14,23-26H2,1H3,(H,39,42)