4-(2-decan-2-yloxycarbonylphenyl)-3,3-bis(fluoranyl)-4-undecanoyloxy-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 4-(2-decan-2-yloxycarbonylphenyl)-3,3-bis(fluoranyl)-4-undecanoyloxy-cyclohexa-1,5-diene-1-carboxylate Openeye Name: 3,3-difluoro-4-[2-(1-methylnonoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-1,5-diene-1-carboxylate CAS Name: 4-[2-[decan-2-yloxy(oxo)methyl]phenyl]-3,3-difluoro-4-(1-oxoundecoxy)-1-cyclohexa-1,5-dienecarboxylate IUPAC Name: 4-(2-decan-2-yloxycarbonylphenyl)-3,3-difluoro-4-undecanoyloxycyclohexa-1,5-diene-1-carboxylate Traditional Name: 3,3-difluoro-4-[2-(1-methylnonoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-1,5-diene-1-carboxylate Formula: C35H49F2O6- MolecularWeight: 603.756766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1(C=CC(=CC1(F)F)C(=O)[O-])C2=CC=CC=C2C(=O)OC(C)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(=O)OC1(C=CC(=CC1(F)F)C(=O)[O-])C2=CC=CC=C2C(=O)OC(C)CCCCCCCC

InChI

InChI=1S/C35H50F2O6/c1-4-6-8-10-12-13-15-17-23-31(38)43-34(25-24-28(32(39)40)26-35(34,36)37)30-22-19-18-21-29(30)33(41)42-27(3)20-16-14-11-9-7-5-2/h18-19,21-22,24-27H,4-17,20,23H2,1-3H3,(H,39,40)/p-1