methyl 2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]sulfanylethanoate Openeye Name: methyl 2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]sulfanylacetate CAS Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]sulfanylacetate Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]thio]acetic acid methyl ester Formula: C18H18Br2O4S MolecularWeight: 490.20612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)SCC(=O)OC)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)SCC(=O)OC)Br)O

InChI

InChI=1S/C18H18Br2O4S/c1-10(2)13-6-11(4-5-16(13)21)24-18-14(19)7-12(8-15(18)20)25-9-17(22)23-3/h4-8,10,21H,9H2,1-3H3