ethyl 7-(3-chloranyl-2,4,5-trimethyl-6-oxidanyl-phenyl)-7-(4-fluorophenyl)heptanoate

Systemtic Name: ethyl 7-(3-chloranyl-2,4,5-trimethyl-6-oxidanyl-phenyl)-7-(4-fluorophenyl)heptanoate Openeye Name: ethyl 7-(5-chloro-2-hydroxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)heptanoate CAS Name: 7-(5-chloro-2-hydroxy-3,4,6-trimethylphenyl)-7-(4-fluorophenyl)heptanoic acid ethyl ester IUPAC Name: ethyl 7-(5-chloro-2-hydroxy-3,4,6-trimethylphenyl)-7-(4-fluorophenyl)heptanoate Traditional Name: 7-(5-chloro-2-hydroxy-3,4,6-trimethyl-phenyl)-7-(4-fluorophenyl)enanthic acid ethyl ester Formula: C24H30ClFO3 MolecularWeight: 420.944603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCC(C1=CC=C(C=C1)F)C2=C(C(=C(C(=C2C)Cl)C)C)O

Isomeric SMILES

CCOC(=O)CCCCCC(C1=CC=C(C=C1)F)C2=C(C(=C(C(=C2C)Cl)C)C)O

InChI

InChI=1S/C24H30ClFO3/c1-5-29-21(27)10-8-6-7-9-20(18-11-13-19(26)14-12-18)22-17(4)23(25)15(2)16(3)24(22)28/h11-14,20,28H,5-10H2,1-4H3