phenyl 2-[3-(4-ethanoyl-6-fluoranyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]-3-methyl-4-oxidanyl-butanoate

Systemtic Name: phenyl 2-[3-(4-ethanoyl-6-fluoranyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]-3-methyl-4-oxidanyl-butanoate Openeye Name: phenyl 2-[3-(4-acetyl-6-fluoro-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]-4-hydroxy-3-methyl-butanoate CAS Name: 2-[3-(4-acetyl-6-fluoro-3-hydroxy-2-propylphenoxy)propylsulfonyl]-4-hydroxy-3-methylbutanoic acid phenyl ester IUPAC Name: phenyl 2-[3-(4-acetyl-6-fluoro-3-hydroxy-2-propylphenoxy)propylsulfonyl]-4-hydroxy-3-methylbutanoate Traditional Name: 2-[3-(4-acetyl-6-fluoro-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]-4-hydroxy-3-methyl-butyric acid phenyl ester Formula: C25H31FO8S MolecularWeight: 510.572243

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1OCCCS(=O)(=O)C(C(C)CO)C(=O)OC2=CC=CC=C2)F)C(=O)C)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1OCCCS(=O)(=O)C(C(C)CO)C(=O)OC2=CC=CC=C2)F)C(=O)C)O

InChI

InChI=1S/C25H31FO8S/c1-4-9-19-22(29)20(17(3)28)14-21(26)23(19)33-12-8-13-35(31,32)24(16(2)15-27)25(30)34-18-10-6-5-7-11-18/h5-7,10-11,14,16,24,27,29H,4,8-9,12-13,15H2,1-3H3