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

Systemtic Name: 4-(2-decan-2-yloxycarbonylphenyl)-2,3-bis(fluoranyl)-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2,3-difluoro-4-[2-(1-methylnonoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-[2-[decan-2-yloxy(oxo)methyl]phenyl]-2,3-difluoro-4-(1-oxoundecoxy)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-(2-decan-2-yloxycarbonylphenyl)-2,3-difluoro-4-undecanoyloxycyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2,3-difluoro-4-[2-(1-methylnonoxycarbonyl)phenyl]-4-undecanoyloxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C35H50F2O6 MolecularWeight: 604.764706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1(C=CC(C(=C1F)F)C(=O)O)C2=CC=CC=C2C(=O)OC(C)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(=O)OC1(C=CC(C(=C1F)F)C(=O)O)C2=CC=CC=C2C(=O)OC(C)CCCCCCCC

InChI

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