7-(5-ethanoyl-2-methoxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)heptanoate

Systemtic Name: 7-(5-ethanoyl-2-methoxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)heptanoate Openeye Name: 7-(5-acetyl-2-methoxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)heptanoate CAS Name: 7-(5-acetyl-2-methoxy-3,4,6-trimethylphenyl)-7-(4-fluorophenyl)heptanoate IUPAC Name: 7-(5-acetyl-2-methoxy-3,4,6-trimethylphenyl)-7-(4-fluorophenyl)heptanoate Traditional Name: 7-(5-acetyl-2-methoxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)enanthate Formula: C25H30FO4- MolecularWeight: 413.501703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)OC)C(CCCCCC(=O)[O-])C2=CC=C(C=C2)F)C)C(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)OC)C(CCCCCC(=O)[O-])C2=CC=C(C=C2)F)C)C(=O)C

InChI

InChI=1S/C25H31FO4/c1-15-16(2)25(30-5)24(17(3)23(15)18(4)27)21(9-7-6-8-10-22(28)29)19-11-13-20(26)14-12-19/h11-14,21H,6-10H2,1-5H3,(H,28,29)/p-1