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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)S(=O)(=O)C2=C(C=C(C=C2CC(=O)O)Br)Br)OC

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)S(=O)(=O)C2=C(C=C(C=C2CC(=O)O)Br)Br)OC

InChI

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