2-[3,5-bis(bromanyl)-4-(4-methoxy-3-propan-2-yl-phenyl)sulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[3,5-bis(bromanyl)-4-(4-methoxy-3-propan-2-yl-phenyl)sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[3,5-dibromo-4-(3-isopropyl-4-methoxy-phenyl)sulfonyl-phenyl]acetic acid CAS Name: 2-[3,5-dibromo-4-(4-methoxy-3-propan-2-ylphenyl)sulfonylphenyl]acetic acid IUPAC Name: 2-[3,5-dibromo-4-(4-methoxy-3-propan-2-ylphenyl)sulfonylphenyl]acetic acid Traditional Name: 2-[3,5-dibromo-4-(3-isopropyl-4-methoxy-phenyl)sulfonyl-phenyl]acetic acid 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)O)Br)OC

Isomeric SMILES

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

InChI

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