methyl 2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]propoxy]-2-propyl-phenyl]sulfanylbenzoate

Systemtic Name: methyl 2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-oxidanyl-phenoxy]propoxy]-2-propyl-phenyl]sulfanylbenzoate Openeye Name: methyl 2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]propoxy]-2-propyl-phenyl]sulfanylbenzoate CAS Name: 2-[[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenyl]sulfanylbenzoate Traditional Name: 2-[[3-[3-[2-ethyl-4-(4-fluorophenyl)-5-hydroxy-phenoxy]propoxy]-2-propyl-phenyl]thio]benzoic acid methyl ester Formula: C34H35FO5S MolecularWeight: 574.702103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1SC2=CC=CC=C2C(=O)OC)OCCCOC3=C(C=C(C(=C3)O)C4=CC=C(C=C4)F)CC

Isomeric SMILES

CCCC1=C(C=CC=C1SC2=CC=CC=C2C(=O)OC)OCCCOC3=C(C=C(C(=C3)O)C4=CC=C(C=C4)F)CC

InChI

InChI=1S/C34H35FO5S/c1-4-10-26-30(12-8-14-32(26)41-33-13-7-6-11-27(33)34(37)38-3)39-19-9-20-40-31-22-29(36)28(21-23(31)5-2)24-15-17-25(35)18-16-24/h6-8,11-18,21-22,36H,4-5,9-10,19-20H2,1-3H3