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

Systemtic Name: O9-ethyl O1-methyl 2-[(E)-4-acetyloxy-5-(4-fluoranylphenoxy)pent-2-enyl]-2-ethanoyl-non-4-ynedioate Openeye Name: O9-ethyl O1-methyl 2-[(E)-4-acetoxy-5-(4-fluorophenoxy)pent-2-enyl]-2-acetyl-non-4-ynedioate CAS Name: 2-acetyl-2-[(E)-4-acetyloxy-5-(4-fluorophenoxy)pent-2-enyl]-4-nonynedioic acid O9-ethyl ester O1-methyl ester IUPAC Name: 9-O-ethyl 1-O-methyl 2-acetyl-2-[(E)-4-acetyloxy-5-(4-fluorophenoxy)pent-2-enyl]non-4-ynedioate Traditional Name: 2-[(E)-4-acetoxy-5-(4-fluorophenoxy)pent-2-enyl]-2-acetyl-non-4-ynedioic acid O9-ethyl ester O1-methyl ester Formula: C27H33FO8 MolecularWeight: 504.544523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33FO8/c1-5-34-25(31)12-8-6-7-9-17-27(20(2)29,26(32)33-4)18-10-11-24(36-21(3)30)19-35-23-15-13-22(28)14-16-23/h10-11,13-16,24H,5-6,8,12,17-19H2,1-4H3/b11-10+