O1-ethyl O9-methyl 2-[4-acetyloxy-5-(4-fluoranylphenoxy)pentyl]-2-ethanoyl-non-4-ynedioate

Systemtic Name: O1-ethyl O9-methyl 2-[4-acetyloxy-5-(4-fluoranylphenoxy)pentyl]-2-ethanoyl-non-4-ynedioate Openeye Name: O1-ethyl O9-methyl 2-[4-acetoxy-5-(4-fluorophenoxy)pentyl]-2-acetyl-non-4-ynedioate CAS Name: 2-acetyl-2-[4-acetyloxy-5-(4-fluorophenoxy)pentyl]-4-nonynedioic acid O1-ethyl ester O9-methyl ester IUPAC Name: 1-O-ethyl 9-O-methyl 2-acetyl-2-[4-acetyloxy-5-(4-fluorophenoxy)pentyl]non-4-ynedioate Traditional Name: 2-[4-acetoxy-5-(4-fluorophenoxy)pentyl]-2-acetyl-non-4-ynedioic acid O1-ethyl ester O9-methyl ester Formula: C27H35FO8 MolecularWeight: 506.560403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(COC1=CC=C(C=C1)F)OC(=O)C)(CC#CCCCC(=O)OC)C(=O)C

Isomeric SMILES

CCOC(=O)C(CCCC(COC1=CC=C(C=C1)F)OC(=O)C)(CC#CCCCC(=O)OC)C(=O)C

InChI

InChI=1S/C27H35FO8/c1-5-34-26(32)27(20(2)29,17-9-7-6-8-12-25(31)33-4)18-10-11-24(36-21(3)30)19-35-23-15-13-22(28)14-16-23/h13-16,24H,5-6,8,10-12,17-19H2,1-4H3