4-[2-(2-fluoranyl-2-methyl-heptanoyl)oxyphenyl]-4-(4-octoxyphenyl)carbonyloxy-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-[2-(2-fluoranyl-2-methyl-heptanoyl)oxyphenyl]-4-(4-octoxyphenyl)carbonyloxy-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-[2-(2-fluoro-2-methyl-heptanoyl)oxyphenyl]-4-(4-octoxybenzoyl)oxy-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-[2-(2-fluoro-2-methyl-1-oxoheptoxy)phenyl]-4-[(4-octoxyphenyl)-oxomethoxy]-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-[2-(2-fluoro-2-methylheptanoyl)oxyphenyl]-4-(4-octoxybenzoyl)oxycyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-[2-(2-fluoro-2-methyl-heptanoyl)oxyphenyl]-4-(4-octoxybenzoyl)oxy-cyclohexa-2,5-diene-1-carboxylic acid Formula: C36H45FO7 MolecularWeight: 608.736703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C(=O)O)C3=CC=CC=C3OC(=O)C(C)(CCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C(=O)O)C3=CC=CC=C3OC(=O)C(C)(CCCCC)F

InChI

InChI=1S/C36H45FO7/c1-4-6-8-9-10-14-26-42-29-19-17-28(18-20-29)33(40)44-36(24-21-27(22-25-36)32(38)39)30-15-11-12-16-31(30)43-34(41)35(3,37)23-13-7-5-2/h11-12,15-22,24-25,27H,4-10,13-14,23,26H2,1-3H3,(H,38,39)