[2,5,8-trimethyl-2-[13,13,13-tris(fluoranyl)-4,8,12-trimethyl-tridecyl]-3,4-dihydrochromen-6-yl] ethanoate

Systemtic Name: [2,5,8-trimethyl-2-[13,13,13-tris(fluoranyl)-4,8,12-trimethyl-tridecyl]-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [2,5,8-trimethyl-2-(13,13,13-trifluoro-4,8,12-trimethyl-tridecyl)chroman-6-yl] acetate CAS Name: acetic acid [2,5,8-trimethyl-2-(13,13,13-trifluoro-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2,5,8-trimethyl-2-(13,13,13-trifluoro-4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [2,5,8-trimethyl-2-(13,13,13-trifluoro-4,8,12-trimethyl-tridecyl)chroman-6-yl] ester Formula: C30H47F3O3 MolecularWeight: 512.68759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C(F)(F)F)C)OC(=O)C

Isomeric SMILES

CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C(F)(F)F)C)OC(=O)C

InChI

InChI=1S/C30H47F3O3/c1-20(13-9-15-23(4)30(31,32)33)11-8-12-21(2)14-10-17-29(7)18-16-26-24(5)27(35-25(6)34)19-22(3)28(26)36-29/h19-21,23H,8-18H2,1-7H3