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

Systemtic Name: methyl 2-[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenyl)sulfonyl-phenyl]ethanoate Openeye Name: methyl 2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenyl)sulfonyl-phenyl]acetate CAS Name: 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenyl)sulfonylphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenyl)sulfonylphenyl]acetate Traditional Name: 2-[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenyl)sulfonyl-phenyl]acetic acid methyl ester Formula: C18H18Br2O5S MolecularWeight: 506.20552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)S(=O)(=O)C2=C(C=C(C=C2Br)CC(=O)OC)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)S(=O)(=O)C2=C(C=C(C=C2Br)CC(=O)OC)Br)O

InChI

InChI=1S/C18H18Br2O5S/c1-10(2)13-9-12(4-5-16(13)21)26(23,24)18-14(19)6-11(7-15(18)20)8-17(22)25-3/h4-7,9-10,21H,8H2,1-3H3