4-(2-decan-2-yloxycarbonylphenyl)-6,6-bis(fluoranyl)-4-undecanoyloxy-cyclohex-2-ene-1-carboxylic acid

Systemtic Name: 4-(2-decan-2-yloxycarbonylphenyl)-6,6-bis(fluoranyl)-4-undecanoyloxy-cyclohex-2-ene-1-carboxylic acid Openeye Name: 6,6-difluoro-4-[2-(1-methylnonoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohex-2-ene-1-carboxylic acid CAS Name: 4-[2-[decan-2-yloxy(oxo)methyl]phenyl]-6,6-difluoro-4-(1-oxoundecoxy)-1-cyclohex-2-enecarboxylic acid IUPAC Name: 4-(2-decan-2-yloxycarbonylphenyl)-6,6-difluoro-4-undecanoyloxycyclohex-2-ene-1-carboxylic acid Traditional Name: 6,6-difluoro-4-[2-(1-methylnonoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohex-2-ene-1-carboxylic acid Formula: C35H52F2O6 MolecularWeight: 606.780586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1(CC(C(C=C1)C(=O)O)(F)F)C2=CC=CC=C2C(=O)OC(C)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(=O)OC1(CC(C(C=C1)C(=O)O)(F)F)C2=CC=CC=C2C(=O)OC(C)CCCCCCCC

InChI

InChI=1S/C35H52F2O6/c1-4-6-8-10-12-13-15-17-23-31(38)43-34(25-24-30(32(39)40)35(36,37)26-34)29-22-19-18-21-28(29)33(41)42-27(3)20-16-14-11-9-7-5-2/h18-19,21-22,24-25,27,30H,4-17,20,23,26H2,1-3H3,(H,39,40)