methyl 4-[5-[6,6,7,7,7-pentakis(fluoranyl)-1-oxidanyl-heptyl]thiophen-2-yl]butanoate

Systemtic Name: methyl 4-[5-[6,6,7,7,7-pentakis(fluoranyl)-1-oxidanyl-heptyl]thiophen-2-yl]butanoate Openeye Name: methyl 4-[5-(6,6,7,7,7-pentafluoro-1-hydroxy-heptyl)-2-thienyl]butanoate CAS Name: 4-[5-(6,6,7,7,7-pentafluoro-1-hydroxyheptyl)-2-thiophenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[5-(6,6,7,7,7-pentafluoro-1-hydroxyheptyl)thiophen-2-yl]butanoate Traditional Name: 4-[5-(6,6,7,7,7-pentafluoro-1-hydroxy-heptyl)-2-thienyl]butyric acid methyl ester Formula: C16H21F5O3S MolecularWeight: 388.393156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=C(S1)C(CCCCC(C(F)(F)F)(F)F)O

Isomeric SMILES

COC(=O)CCCC1=CC=C(S1)C(CCCCC(C(F)(F)F)(F)F)O

InChI

InChI=1S/C16H21F5O3S/c1-24-14(23)7-4-5-11-8-9-13(25-11)12(22)6-2-3-10-15(17,18)16(19,20)21/h8-9,12,22H,2-7,10H2,1H3