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

Systemtic Name: 2-[3,5-bis(bromanyl)-4-(3-cyclohexyl-4-methoxy-phenyl)sulfonyl-phenyl]ethanoic acid Openeye Name: 2-[3,5-dibromo-4-(3-cyclohexyl-4-methoxy-phenyl)sulfonyl-phenyl]acetic acid CAS Name: 2-[3,5-dibromo-4-(3-cyclohexyl-4-methoxyphenyl)sulfonylphenyl]acetic acid IUPAC Name: 2-[3,5-dibromo-4-(3-cyclohexyl-4-methoxyphenyl)sulfonylphenyl]acetic acid Traditional Name: 2-[3,5-dibromo-4-(3-cyclohexyl-4-methoxy-phenyl)sulfonyl-phenyl]acetic acid Formula: C21H22Br2O5S MolecularWeight: 546.26938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2Br)CC(=O)O)Br)C3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2Br)CC(=O)O)Br)C3CCCCC3

InChI

InChI=1S/C21H22Br2O5S/c1-28-19-8-7-15(12-16(19)14-5-3-2-4-6-14)29(26,27)21-17(22)9-13(10-18(21)23)11-20(24)25/h7-10,12,14H,2-6,11H2,1H3,(H,24,25)